 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_M11-def2SVPDr.in
 Output=35_ZrEnThind2Cl2_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/35_ZrEnThind2Cl2_STD/Gau-55838.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     55839.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=35_ZrEnThind2Cl2_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 16:57:50 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 16:57:50 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Fri Jul 23 16:57:50 2021, MaxMem= 10737418240 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 5 1.00
     Exponent=  1.0449827566D+04 Coefficients=  1.9708362484D-03
     Exponent=  1.5717365221D+03 Coefficients=  1.4754727977D-02
     Exponent=  3.5712065523D+02 Coefficients=  6.6679112875D-02
     Exponent=  1.0025185935D+02 Coefficients=  1.7228924084D-01
     Exponent=  3.0812727554D+01 Coefficients=  1.5883786100D-01
 S 3 1.00
     Exponent=  5.1923789434D+01 Coefficients= -1.0009298909D-01
     Exponent=  5.7045760975D+00 Coefficients=  6.0841752753D-01
     Exponent=  2.3508376809D+00 Coefficients=  5.4352153355D-01
 S 1 1.00
     Exponent=  4.4605124672D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6848856190D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.5344229413D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  3.0766790569D+02 Coefficients= -8.7801484118D-03
     Exponent=  7.2102015515D+01 Coefficients= -6.3563355471D-02
     Exponent=  2.2532680262D+01 Coefficients= -2.4016428276D-01
     Exponent=  7.8991765444D+00 Coefficients= -4.7798866557D-01
     Exponent=  2.8767268321D+00 Coefficients= -3.8515850005D-01
 P 1 1.00
     Exponent=  7.7459363955D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.1037699698D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.0046271086D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2284803390D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 3 1.00
     Exponent=  5.8737890000D+00 Coefficients=  5.4255558714D-01
     Exponent=  4.2872700000D+00 Coefficients= -9.5241333244D-01
     Exponent=  1.4641370000D+00 Coefficients= -1.3703926411D-01
 S 1 1.00
     Exponent=  8.3727682345D-01 Coefficients=  8.8521584390D-01
 S 1 1.00
     Exponent=  3.6849806511D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.7806859124D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.0273088330D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.8742240000D+00 Coefficients= -4.6624086918D-01
     Exponent=  2.1199010000D+00 Coefficients=  4.5883133891D-01
     Exponent=  7.8845821105D-01 Coefficients=  5.8853912475D-01
     Exponent=  3.6332579847D-01 Coefficients=  3.5822232244D-01
 P 1 1.00
     Exponent=  1.4951762021D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.7000000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.0000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.2898623878D+00 Coefficients= -1.2212868080D-02
     Exponent=  1.3615557498D+00 Coefficients=  1.9692423520D-01
     Exponent=  5.6937550689D-01 Coefficients=  4.2057831659D-01
     Exponent=  2.2674948677D-01 Coefficients=  4.2757027999D-01
 D 1 1.00
     Exponent=  8.3011031631D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.9261000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      F and up 
                                                     2        7.5400000      -21.09377605    0.00000000
                                                     2        3.7700000       -3.08069427    0.00000000
                                      S - F
                                                     2        8.2000000      150.26759106    0.00000000
                                                     2        4.0897278       18.97621650    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      P - F
                                                     2        7.1100000       99.62212372    0.00000000
                                                     2        3.5967980       14.16873329    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      D - F
                                                     2        5.3500000       35.04512355    0.00000000
                                                     2        2.4918215        6.11125948    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   729 symmetry adapted cartesian basis functions of A   symmetry.
 There are   680 symmetry adapted basis functions of A   symmetry.
   680 basis functions,  1042 primitive gaussians,   729 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 16:57:51 2021, MaxMem= 10737418240 cpu:              14.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   40584 LenP2D=   89806.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   680 RedAO= T EigKep=  6.62D-06  NBF=   680
 NBsUse=   680 1.00D-06 EigRej= -1.00D+00 NBFU=   680
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   728   728   728   728   728 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Fri Jul 23 16:57:53 2021, MaxMem= 10737418240 cpu:              22.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 16:57:53 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 16:57:55 2021, MaxMem= 10737418240 cpu:              25.3 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736335969 LenY= 10735803799
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1742.81594122279    
 DIIS: error= 3.28D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1742.81594122279     IErMin= 1 ErrMin= 3.28D-03
 ErrMax= 3.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-02 BMatP= 3.80D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.28D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.340 Goal=   None    Shift=    0.000
 GapD=    0.340 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.29D-02 MaxDP=1.10D+00              OVMax= 2.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.17D-02    CP:  1.23D+00
 E= -1742.85631024837     Delta-E=       -0.040369025587 Rises=F Damp=F
 DIIS: error= 6.31D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1742.85631024837     IErMin= 2 ErrMin= 6.31D-04
 ErrMax= 6.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-03 BMatP= 3.80D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.31D-03
 Coeff-Com:  0.213D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.212D-01 0.979D+00
 Gap=     0.330 Goal=   None    Shift=    0.000
 RMSDP=2.70D-03 MaxDP=2.05D-01 DE=-4.04D-02 OVMax= 1.44D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.18D-03    CP:  1.29D+00  1.16D+00
 E= -1742.85792640000     Delta-E=       -0.001616151623 Rises=F Damp=F
 DIIS: error= 6.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1742.85792640000     IErMin= 3 ErrMin= 6.26D-04
 ErrMax= 6.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.92D-04 BMatP= 2.10D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.26D-03
 Coeff-Com: -0.382D-01 0.398D+00 0.641D+00
 Coeff-En:   0.000D+00 0.570D-01 0.943D+00
 Coeff:     -0.379D-01 0.395D+00 0.642D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.42D-04 MaxDP=5.05D-02 DE=-1.62D-03 OVMax= 1.00D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.14D-04    CP:  1.30D+00  1.17D+00  9.13D-01
 E= -1742.85890387449     Delta-E=       -0.000977474494 Rises=F Damp=F
 DIIS: error= 2.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1742.85890387449     IErMin= 4 ErrMin= 2.46D-04
 ErrMax= 2.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-04 BMatP= 9.92D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.46D-03
 Coeff-Com: -0.227D-01 0.794D-01 0.322D+00 0.622D+00
 Coeff-En:   0.000D+00 0.000D+00 0.275D-01 0.972D+00
 Coeff:     -0.227D-01 0.792D-01 0.321D+00 0.622D+00
 Gap=     0.331 Goal=   None    Shift=    0.000
 RMSDP=2.07D-04 MaxDP=1.07D-02 DE=-9.77D-04 OVMax= 2.57D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.65D-05    CP:  1.30D+00  1.18D+00  9.86D-01  7.88D-01
 E= -1742.85908156260     Delta-E=       -0.000177688105 Rises=F Damp=F
 DIIS: error= 3.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1742.85908156260     IErMin= 5 ErrMin= 3.35D-05
 ErrMax= 3.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-06 BMatP= 1.71D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03-0.311D-01 0.116D-01 0.134D+00 0.885D+00
 Coeff:     -0.116D-03-0.311D-01 0.116D-01 0.134D+00 0.885D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=3.56D-05 MaxDP=1.62D-03 DE=-1.78D-04 OVMax= 1.03D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.72D-05    CP:  1.30D+00  1.18D+00  9.94D-01  8.14D-01  1.15D+00
 E= -1742.85908970765     Delta-E=       -0.000008145054 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1742.85908970765     IErMin= 6 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-07 BMatP= 5.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.129D-01-0.163D-01-0.106D-01 0.244D+00 0.795D+00
 Coeff:      0.120D-02-0.129D-01-0.163D-01-0.106D-01 0.244D+00 0.795D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=6.26D-04 DE=-8.15D-06 OVMax= 3.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.21D-05    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.18D+00
                    CP:  1.01D+00
 E= -1742.85909068535     Delta-E=       -0.000000977696 Rises=F Damp=F
 DIIS: error= 6.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1742.85909068535     IErMin= 7 ErrMin= 6.10D-06
 ErrMax= 6.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 5.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.427D-03-0.138D-02-0.705D-02-0.185D-01-0.600D-02 0.279D+00
 Coeff-Com:  0.754D+00
 Coeff:      0.427D-03-0.138D-02-0.705D-02-0.185D-01-0.600D-02 0.279D+00
 Coeff:      0.754D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=5.97D-06 MaxDP=3.02D-04 DE=-9.78D-07 OVMax= 2.47D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.47D-06    CP:  1.30D+00  1.18D+00  9.96D-01  8.16D-01  1.18D+00
                    CP:  1.10D+00  8.39D-01
 E= -1742.85909090796     Delta-E=       -0.000000222613 Rises=F Damp=F
 DIIS: error= 3.20D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1742.85909090796     IErMin= 8 ErrMin= 3.20D-06
 ErrMax= 3.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-08 BMatP= 1.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-03 0.266D-02 0.139D-02-0.388D-02-0.610D-01-0.101D+00
 Coeff-Com:  0.264D+00 0.898D+00
 Coeff:     -0.119D-03 0.266D-02 0.139D-02-0.388D-02-0.610D-01-0.101D+00
 Coeff:      0.264D+00 0.898D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=1.44D-04 DE=-2.23D-07 OVMax= 1.55D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.01D-06    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.13D+00  1.02D+00  1.03D+00
 E= -1742.85909097759     Delta-E=       -0.000000069626 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1742.85909097759     IErMin= 9 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-09 BMatP= 2.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-03 0.107D-02 0.159D-02 0.182D-02-0.178D-01-0.749D-01
 Coeff-Com: -0.332D-01 0.249D+00 0.872D+00
 Coeff:     -0.107D-03 0.107D-02 0.159D-02 0.182D-02-0.178D-01-0.749D-01
 Coeff:     -0.332D-01 0.249D+00 0.872D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=1.17D-06 MaxDP=9.43D-05 DE=-6.96D-08 OVMax= 7.63D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.64D-07    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.14D+00  1.05D+00  1.13D+00  1.07D+00
 E= -1742.85909098759     Delta-E=       -0.000000010005 Rises=F Damp=F
 DIIS: error= 4.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1742.85909098759     IErMin=10 ErrMin= 4.22D-07
 ErrMax= 4.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-10 BMatP= 2.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04-0.131D-03 0.182D-03 0.112D-02 0.453D-02-0.422D-02
 Coeff-Com: -0.478D-01-0.798D-01 0.242D+00 0.884D+00
 Coeff:     -0.128D-04-0.131D-03 0.182D-03 0.112D-02 0.453D-02-0.422D-02
 Coeff:     -0.478D-01-0.798D-01 0.242D+00 0.884D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=4.94D-07 MaxDP=2.63D-05 DE=-1.00D-08 OVMax= 2.73D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.94D-07    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.14D+00  1.06D+00  1.14D+00  1.22D+00  1.05D+00
 E= -1742.85909098912     Delta-E=       -0.000000001529 Rises=F Damp=F
 DIIS: error= 1.40D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1742.85909098912     IErMin=11 ErrMin= 1.40D-07
 ErrMax= 1.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.15D-11 BMatP= 4.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-04-0.216D-03-0.217D-03 0.848D-04 0.436D-02 0.115D-01
 Coeff-Com: -0.854D-02-0.660D-01-0.743D-01 0.259D+00 0.874D+00
 Coeff:      0.145D-04-0.216D-03-0.217D-03 0.848D-04 0.436D-02 0.115D-01
 Coeff:     -0.854D-02-0.660D-01-0.743D-01 0.259D+00 0.874D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=1.11D-05 DE=-1.53D-09 OVMax= 1.10D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.14D+00  1.06D+00  1.14D+00  1.25D+00  1.18D+00
                    CP:  1.05D+00
 E= -1742.85909098936     Delta-E=       -0.000000000237 Rises=F Damp=F
 DIIS: error= 4.21D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1742.85909098936     IErMin=12 ErrMin= 4.21D-08
 ErrMax= 4.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.83D-12 BMatP= 7.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.460D-05-0.362D-04-0.689D-04-0.868D-04 0.564D-03 0.322D-02
 Coeff-Com:  0.299D-02-0.680D-02-0.461D-01-0.390D-01 0.225D+00 0.860D+00
 Coeff:      0.460D-05-0.362D-04-0.689D-04-0.868D-04 0.564D-03 0.322D-02
 Coeff:      0.299D-02-0.680D-02-0.461D-01-0.390D-01 0.225D+00 0.860D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=6.43D-08 MaxDP=3.69D-06 DE=-2.37D-10 OVMax= 2.92D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.05D-08    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.14D+00  1.06D+00  1.14D+00  1.26D+00  1.19D+00
                    CP:  1.16D+00  1.06D+00
 E= -1742.85909098903     Delta-E=        0.000000000322 Rises=F Damp=F
 DIIS: error= 2.09D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -1742.85909098936     IErMin=13 ErrMin= 2.09D-08
 ErrMax= 2.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-12 BMatP= 7.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.778D-06 0.219D-04 0.136D-04-0.452D-04-0.527D-03-0.935D-03
 Coeff-Com:  0.222D-02 0.899D-02-0.150D-02-0.548D-01-0.733D-01 0.270D+00
 Coeff-Com:  0.850D+00
 Coeff:     -0.778D-06 0.219D-04 0.136D-04-0.452D-04-0.527D-03-0.935D-03
 Coeff:      0.222D-02 0.899D-02-0.150D-02-0.548D-01-0.733D-01 0.270D+00
 Coeff:      0.850D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=2.92D-08 MaxDP=1.59D-06 DE= 3.22D-10 OVMax= 9.49D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.64D-08    CP:  1.30D+00  1.18D+00  9.96D-01  8.15D-01  1.19D+00
                    CP:  1.14D+00  1.06D+00  1.14D+00  1.26D+00  1.20D+00
                    CP:  1.19D+00  1.16D+00  1.01D+00
 E= -1742.85909098953     Delta-E=       -0.000000000497 Rises=F Damp=F
 DIIS: error= 6.38D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -1742.85909098953     IErMin=14 ErrMin= 6.38D-09
 ErrMax= 6.38D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-13 BMatP= 1.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.664D-06 0.846D-05 0.122D-04-0.761D-06-0.173D-03-0.595D-03
 Coeff-Com:  0.108D-03 0.266D-02 0.524D-02-0.566D-02-0.433D-01-0.497D-01
 Coeff-Com:  0.164D+00 0.928D+00
 Coeff:     -0.664D-06 0.846D-05 0.122D-04-0.761D-06-0.173D-03-0.595D-03
 Coeff:      0.108D-03 0.266D-02 0.524D-02-0.566D-02-0.433D-01-0.497D-01
 Coeff:      0.164D+00 0.928D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=7.49D-09 MaxDP=4.51D-07 DE=-4.97D-10 OVMax= 3.23D-07

 SCF Done:  E(RM11) =  -1742.85909099     A.U. after   14 cycles
            NFock= 14  Conv=0.75D-08     -V/T= 2.0264
 KE= 1.698076561261D+03 PE=-9.179431923136D+03 EE= 3.184320076324D+03
 Leave Link  502 at Fri Jul 23 17:13:41 2021, MaxMem= 10737418240 cpu:           15099.7 elap:             946.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   680
 NBasis=   680 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    680 NOA=    95 NOB=    95 NVA=   585 NVB=   585

 **** Warning!!: The largest alpha MO coefficient is  0.55238111D+02

 Leave Link  801 at Fri Jul 23 17:13:41 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14455 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.26D-13 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.26D-13 8.33D-09 XBig12= 2.09D-01 4.70D-02.
     11 vectors produced by pass  2 Test12= 9.26D-13 8.33D-09 XBig12= 5.55D-02 6.99D-02.
     11 vectors produced by pass  3 Test12= 9.26D-13 8.33D-09 XBig12= 8.20D-03 2.89D-02.
     11 vectors produced by pass  4 Test12= 9.26D-13 8.33D-09 XBig12= 1.15D-03 9.65D-03.
     11 vectors produced by pass  5 Test12= 9.26D-13 8.33D-09 XBig12= 1.72D-04 2.86D-03.
     11 vectors produced by pass  6 Test12= 9.26D-13 8.33D-09 XBig12= 2.02D-05 1.01D-03.
     11 vectors produced by pass  7 Test12= 9.26D-13 8.33D-09 XBig12= 2.15D-06 2.77D-04.
     11 vectors produced by pass  8 Test12= 9.26D-13 8.33D-09 XBig12= 2.29D-07 8.49D-05.
     11 vectors produced by pass  9 Test12= 9.26D-13 8.33D-09 XBig12= 1.89D-08 3.46D-05.
     11 vectors produced by pass 10 Test12= 9.26D-13 8.33D-09 XBig12= 1.26D-09 8.83D-06.
     11 vectors produced by pass 11 Test12= 9.26D-13 8.33D-09 XBig12= 8.15D-11 1.62D-06.
     11 vectors produced by pass 12 Test12= 9.26D-13 8.33D-09 XBig12= 4.77D-12 2.17D-07.
      8 vectors produced by pass 13 Test12= 9.26D-13 8.33D-09 XBig12= 5.61D-13 6.47D-08.
      6 vectors produced by pass 14 Test12= 9.26D-13 8.33D-09 XBig12= 1.20D-12 4.72D-08.
      4 vectors produced by pass 15 Test12= 9.26D-13 8.33D-09 XBig12= 4.95D-13 3.79D-08.
      2 vectors produced by pass 16 Test12= 9.26D-13 8.33D-09 XBig12= 3.54D-13 2.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   163 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.331498D+03
      2 -0.401100D+00  0.265205D+03
      3 -0.267103D+01  0.375224D+00  0.246869D+03
 Isotropic polarizability for W=    0.085645      281.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.280462D+01 -0.969905D+02 -0.745832D+01
      2   0.759912D+01  0.190290D+03  0.535268D+00
      3  -0.479450D+01 -0.932995D+02  0.692305D+01
      4   0.318749D+02  0.144231D+02 -0.315025D+02
      5  -0.137747D+02 -0.274901D+02 -0.772354D+01
      6  -0.796699D+01 -0.104077D+02  0.105268D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.990595D+00 -0.102832D+01 -0.490991D+02
      2  -0.615423D+00 -0.137655D+02 -0.153477D+01
      3   0.789309D+02 -0.461579D+01  0.138851D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.401243D+01 -0.109429D+02 -0.103826D+03
      2   0.631640D+01 -0.235356D+02 -0.292904D+01
      3   0.128865D+03 -0.682402D+01  0.195231D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.106290D+01 -0.167383D+00 -0.432806D+01
      2  -0.167383D+00  0.155396D+01  0.318507D+00
      3  -0.432806D+01  0.318507D+00 -0.150668D+01
 OR G Eigenvalues:    -4.7404     1.5198     4.3308  Iso=    -0.3701
 Eigenvectors:
   (1)   0.597196  -0.024687   0.801715
   (2)   0.107886   0.992916  -0.049789
   (3)   0.794806  -0.116228  -0.595629
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3701 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =      -41.15 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  231540 ScalPx= 9.02D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.54D-13 2.78D-09 XBig12= 1.00D+00 3.68D-01.
     30 vectors produced by pass  1 Test12= 1.54D-13 2.78D-09 XBig12= 2.78D-01 1.43D-01.
     30 vectors produced by pass  2 Test12= 1.54D-13 2.78D-09 XBig12= 1.11D-02 2.15D-02.
     30 vectors produced by pass  3 Test12= 1.54D-13 2.78D-09 XBig12= 4.61D-04 4.19D-03.
     30 vectors produced by pass  4 Test12= 1.54D-13 2.78D-09 XBig12= 4.01D-05 9.55D-04.
     30 vectors produced by pass  5 Test12= 1.54D-13 2.78D-09 XBig12= 1.29D-06 1.74D-04.
     30 vectors produced by pass  6 Test12= 1.54D-13 2.78D-09 XBig12= 3.57D-08 1.97D-05.
     30 vectors produced by pass  7 Test12= 1.54D-13 2.78D-09 XBig12= 9.65D-10 2.34D-06.
     30 vectors produced by pass  8 Test12= 1.54D-13 2.78D-09 XBig12= 1.69D-11 2.86D-07.
     30 vectors produced by pass  9 Test12= 1.54D-13 2.78D-09 XBig12= 4.59D-13 4.39D-08.
     14 vectors produced by pass 10 Test12= 1.54D-13 2.78D-09 XBig12= 2.08D-13 2.80D-08.
      6 vectors produced by pass 11 Test12= 1.54D-13 2.78D-09 XBig12= 1.86D-13 2.27D-08.
      3 vectors produced by pass 12 Test12= 1.54D-13 2.78D-09 XBig12= 1.03D-13 1.72D-08.
      2 vectors produced by pass 13 Test12= 1.54D-13 2.78D-09 XBig12= 1.72D-14 5.70D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   325 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 3.69D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 3.69D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.63D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.331498D+03 -0.401100D+00 -0.267103D+01
      2  -0.401100D+00  0.265205D+03  0.375224D+00
      3  -0.267103D+01  0.375224D+00  0.246869D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.990595D+00 -0.102832D+01 -0.490991D+02
      2  -0.615423D+00 -0.137655D+02 -0.153477D+01
      3   0.789309D+02 -0.461579D+01  0.138851D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.280462D+01 -0.969905D+02 -0.745832D+01
      2   0.759912D+01  0.190290D+03  0.535268D+00
      3  -0.479450D+01 -0.932995D+02  0.692305D+01
      4   0.318749D+02  0.144231D+02 -0.315025D+02
      5  -0.137747D+02 -0.274901D+02 -0.772354D+01
      6  -0.796699D+01 -0.104077D+02  0.105268D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509177D+01  0.106103D+01  0.894868D+00  0.103228D+01 -0.186174D+01
      2   0.106103D+01 -0.596818D+00  0.958236D-03 -0.186174D+01 -0.642708D+01
      3   0.894868D+00  0.958236D-03  0.158215D+01  0.536768D+00  0.779757D+00
                 6             7             8             9            10 
      1   0.536768D+00  0.262811D+01  0.715043D+00  0.167195D+00  0.905741D+01
      2   0.779757D+00  0.715043D+00  0.727912D+00 -0.406077D+00  0.327981D+01
      3   0.713712D+00  0.167195D+00 -0.406077D+00  0.371954D+01 -0.207875D+00
                11            12            13            14            15 
      1   0.327981D+01 -0.207875D+00  0.982413D+01  0.301985D+01 -0.294621D+01
      2   0.515069D+01 -0.168334D+01  0.301985D+01  0.207606D+00  0.224576D+00
      3  -0.168334D+01  0.124107D+01 -0.294621D+01  0.224576D+00  0.190984D+01
                16            17            18            19            20 
      1  -0.577392D+01 -0.444652D+00  0.281515D+01  0.141199D+02 -0.271012D+01
      2  -0.444652D+00 -0.252685D+01  0.119370D+01 -0.271012D+01  0.262360D+01
      3   0.281515D+01  0.119370D+01 -0.189695D+01  0.490840D+01 -0.124549D+01
                21            22            23            24            25 
      1   0.490840D+01 -0.973065D+01  0.628334D+00  0.323755D+01  0.416266D+01
      2  -0.124549D+01  0.628334D+00 -0.454379D+00 -0.408790D+00  0.260522D+01
      3   0.268259D+01  0.323755D+01 -0.408790D+00 -0.652145D+00 -0.189126D+01
                26            27            28            29            30 
      1   0.260522D+01 -0.189126D+01 -0.652881D+01  0.635019D+00 -0.338217D+01
      2  -0.264509D+01 -0.486449D-01  0.635019D+00  0.661331D+00  0.114148D+01
      3  -0.486449D-01  0.361637D+00 -0.338217D+01  0.114148D+01 -0.324580D+01
                31            32            33            34            35 
      1   0.157108D+01 -0.134259D+01  0.616822D+00 -0.528816D+01  0.136267D+01
      2  -0.134259D+01  0.522612D+01 -0.396612D+00  0.136267D+01  0.633862D+00
      3   0.616822D+00 -0.396612D+00 -0.521888D+00 -0.523276D+01 -0.392352D+00
                36            37            38            39            40 
      1  -0.523276D+01 -0.723753D+01  0.463925D+01  0.949498D+00  0.559587D+01
      2  -0.392352D+00  0.463925D+01 -0.955544D+00 -0.175237D+00 -0.961141D+00
      3  -0.177614D+01  0.949498D+00 -0.175237D+00  0.262485D+01 -0.162868D+00
                41            42            43            44            45 
      1  -0.961141D+00 -0.162868D+00 -0.723137D-01 -0.113016D+00  0.355037D+01
      2  -0.211227D+01  0.816137D+00 -0.113016D+00  0.762038D+00  0.189400D+01
      3   0.816137D+00  0.190818D+01  0.355037D+01  0.189400D+01  0.593626D+00
                46            47            48            49            50 
      1   0.205492D+01 -0.351752D+01  0.569285D+00 -0.599921D+01 -0.103778D+01
      2  -0.351752D+01 -0.630301D+00  0.334090D+00 -0.103778D+01  0.238937D+01
      3   0.569285D+00  0.334090D+00 -0.369009D+01  0.461757D+00 -0.514256D+00
                51            52            53            54            55 
      1   0.461757D+00  0.218544D+01  0.467521D+00 -0.631225D+01  0.252641D+01
      2  -0.514256D+00  0.467521D+00 -0.412647D+00 -0.305031D+01  0.128214D+01
      3  -0.259711D+01 -0.631225D+01 -0.305031D+01  0.834176D+00  0.143883D+00
                56            57            58            59            60 
      1   0.128214D+01  0.143883D+00 -0.110662D+01 -0.620431D+00  0.156060D+01
      2  -0.252748D+01  0.174685D+00 -0.620431D+00  0.998543D+00 -0.882318D-01
      3   0.174685D+00  0.427481D+01  0.156060D+01 -0.882318D-01 -0.862108D+00
                61            62            63            64            65 
      1   0.412283D+01 -0.197297D+01  0.559453D+01 -0.953003D+00 -0.101364D+01
      2  -0.197297D+01  0.932691D+00  0.598999D+00 -0.101364D+01  0.488184D+00
      3   0.559453D+01  0.598999D+00  0.639331D+01  0.161141D+01  0.146349D+01
                66            67            68            69            70 
      1   0.161141D+01  0.165477D+01  0.100133D+01  0.139574D+00  0.207686D-01
      2   0.146349D+01  0.100133D+01 -0.104409D+01  0.830138D+00 -0.833610D+00
      3   0.788862D+00  0.139574D+00  0.830138D+00  0.394436D+01  0.203860D+01
                71            72            73            74            75 
      1  -0.833610D+00  0.203860D+01 -0.497592D+01  0.913776D+00 -0.991390D-01
      2   0.441772D+01  0.279093D+01  0.913776D+00 -0.167557D+01  0.310380D+01
      3   0.279093D+01  0.778126D+01 -0.991390D-01  0.310380D+01  0.271195D+00
                76            77            78            79            80 
      1   0.154090D+01  0.497889D+00 -0.128616D+00  0.455416D+00  0.228423D+01
      2   0.497889D+00  0.116787D+02  0.168068D+01  0.228423D+01  0.115644D+01
      3  -0.128616D+00  0.168068D+01  0.183880D+01 -0.727643D+00  0.207716D+00
                81            82            83            84            85 
      1  -0.727643D+00  0.579529D+00 -0.278738D+01 -0.181719D+01 -0.118367D+01
      2   0.207716D+00 -0.278738D+01 -0.457086D+01 -0.626193D+00 -0.288331D+01
      3  -0.220896D+01 -0.181719D+01 -0.626193D+00  0.171732D+01  0.219445D+00
                86            87            88            89            90 
      1  -0.288331D+01  0.219445D+00 -0.128286D+01  0.470391D-01  0.251064D+01
      2  -0.745184D+01 -0.127071D+01  0.470391D-01  0.667300D+00 -0.110159D+01
      3  -0.127071D+01 -0.162571D+00  0.251064D+01 -0.110159D+01  0.457208D+00
                91            92            93            94            95 
      1  -0.846477D+00 -0.268254D+01  0.185898D+01 -0.921422D+00  0.271064D+01
      2  -0.268254D+01  0.444373D+01 -0.735950D+00  0.271064D+01 -0.738248D+01
      3   0.185898D+01 -0.735950D+00 -0.171949D+01  0.707824D-01  0.140870D+01
                96            97            98            99           100 
      1   0.707824D-01  0.104351D+01 -0.149582D+00 -0.250567D+01  0.598080D+01
      2   0.140870D+01 -0.149582D+00 -0.569844D+00 -0.115172D+01  0.611325D+00
      3  -0.157769D+00 -0.250567D+01 -0.115172D+01 -0.436426D+00 -0.182817D-01
               101           102           103           104           105 
      1   0.611325D+00 -0.182817D-01  0.101723D+01  0.859193D-01 -0.150688D+00
      2   0.191843D+01  0.267920D+01  0.859193D-01  0.113301D+02 -0.166638D+01
      3   0.267920D+01 -0.501585D+00 -0.150688D+00 -0.166638D+01  0.178178D+01
               106           107           108           109           110 
      1   0.194529D+00  0.232826D+01  0.953999D+00 -0.889945D+01  0.376492D+01
      2   0.232826D+01 -0.119263D+01  0.626083D+00  0.376492D+01 -0.602859D+01
      3   0.953999D+00  0.626083D+00  0.224634D+01 -0.252481D+00 -0.130571D+01
               111           112           113           114           115 
      1  -0.252481D+00  0.100534D+02 -0.387658D+01 -0.191474D+01  0.631253D+01
      2  -0.130571D+01 -0.387658D+01  0.458675D+00 -0.735393D-01 -0.630374D+00
      3  -0.651754D+00 -0.191474D+01 -0.735393D-01  0.188114D+01 -0.290052D+01
               116           117           118           119           120 
      1  -0.630374D+00 -0.290052D+01 -0.147765D+02 -0.268013D+01 -0.491241D+01
      2   0.246737D+01  0.117134D+01 -0.268013D+01 -0.275280D+01 -0.115444D+01
      3   0.117134D+01  0.138998D+01 -0.491241D+01 -0.115444D+01 -0.300908D+01
               121           122           123           124           125 
      1  -0.848633D+01 -0.391362D+00  0.312436D+01 -0.441469D+01  0.255607D+01
      2  -0.391362D+00 -0.166420D+00  0.296886D+00  0.255607D+01  0.245534D+01
      3   0.312436D+01  0.296886D+00 -0.875544D+00  0.140491D+01 -0.268293D+00
               126           127           128           129           130 
      1   0.140491D+01 -0.167139D+01  0.192089D+01  0.702784D+00 -0.666020D+00
      2  -0.268293D+00  0.192089D+01  0.275710D+01  0.388632D+00  0.847290D+00
      3  -0.932925D+00  0.702784D+00  0.388632D+00 -0.401099D+01  0.154379D+01
               131           132           133           134           135 
      1   0.847290D+00  0.154379D+01 -0.443928D+01 -0.202168D+01 -0.543328D+01
      2   0.793234D+00  0.198548D+00 -0.202168D+01 -0.691850D+00  0.579448D+00
      3   0.198548D+00 -0.692553D+00 -0.543328D+01  0.579448D+00 -0.677262D+01
               136           137           138           139           140 
      1   0.767895D+00 -0.109657D+01 -0.148822D+01  0.155872D+01 -0.127468D+01
      2  -0.109657D+01 -0.144488D+00  0.128156D+01 -0.127468D+01 -0.119260D+01
      3  -0.148822D+01  0.128156D+01 -0.513507D+00 -0.187876D+00 -0.122119D+01
               141           142           143           144           145 
      1  -0.187876D+00  0.492122D-04 -0.122660D+01 -0.183580D+01  0.436072D+01
      2  -0.122119D+01 -0.122660D+01 -0.429228D+01  0.257685D+01 -0.216093D+01
      3   0.372875D+01 -0.183580D+01  0.257685D+01 -0.784315D+01 -0.850093D+00
               146           147           148           149           150 
      1  -0.216093D+01 -0.850093D+00 -0.475299D+01  0.613230D+01 -0.978736D+00
      2   0.327113D+01 -0.149256D+01  0.613230D+01 -0.525409D+01 -0.397769D+00
      3  -0.149256D+01 -0.117567D+01 -0.978736D+00 -0.397769D+00 -0.134799D+01
               151           152           153           154           155 
      1  -0.151981D+01 -0.277156D+01 -0.470329D+00  0.997045D+00 -0.263399D+01
      2  -0.277156D+01  0.112674D+00 -0.206573D+01 -0.263399D+01 -0.352577D+00
      3  -0.470329D+00 -0.206573D+01 -0.168926D+01 -0.230906D+01  0.336796D+01
               156           157           158           159           160 
      1  -0.230906D+01 -0.444634D+01 -0.396827D+00  0.431940D+01 -0.248303D+01
      2   0.336796D+01 -0.396827D+00  0.641333D+00 -0.144576D+01  0.409879D+01
      3   0.177177D+01  0.431940D+01 -0.144576D+01  0.525767D+00  0.193829D+01
               161           162           163           164           165 
      1   0.409879D+01  0.193829D+01  0.468530D+01  0.303220D+01  0.561974D+00
      2  -0.150653D+01  0.979230D+00  0.303220D+01  0.152362D+01 -0.288116D+01
      3   0.979230D+00 -0.140210D+01  0.561974D+00 -0.288116D+01 -0.357073D+00
               166           167           168           169           170 
      1   0.522172D+01  0.262888D+01 -0.427520D+01  0.701557D+00 -0.439466D+01
      2   0.262888D+01 -0.466193D+00  0.859267D+00 -0.439466D+01  0.656444D+00
      3  -0.427520D+01  0.859267D+00 -0.167970D+01  0.239029D+00 -0.195779D+01
               171           172           173           174           175 
      1   0.239029D+00  0.356219D+01  0.204844D+00  0.629800D+00  0.253687D+01
      2  -0.195779D+01  0.204844D+00  0.413010D+00  0.239270D+01  0.233758D+01
      3   0.502683D+00  0.629800D+00  0.239270D+01  0.191882D+01  0.285411D+01
               176           177           178           179           180 
      1   0.233758D+01  0.285411D+01 -0.225886D-01  0.239254D+01  0.327503D+01
      2   0.320515D+01 -0.402283D+00  0.239254D+01 -0.804167D+00  0.295293D+01
      3  -0.402283D+00  0.225214D+01  0.327503D+01  0.295293D+01  0.274821D+01
               181           182           183           184           185 
      1  -0.223467D-01 -0.489273D+01  0.545742D-01 -0.285872D-01 -0.396676D+00
      2  -0.489273D+01 -0.232002D+00 -0.143014D+01 -0.396676D+00 -0.941112D+01
      3   0.545742D-01 -0.143014D+01  0.249948D+00 -0.471617D+00  0.433226D+00
               186           187           188           189           190 
      1  -0.471617D+00 -0.261163D+00 -0.213594D+01  0.252703D+00  0.853871D+01
      2   0.433226D+00 -0.213594D+01  0.149661D+00 -0.361056D+01 -0.165574D+01
      3  -0.186979D+01  0.252703D+00 -0.361056D+01  0.225027D+00  0.144828D+00
               191           192           193           194           195 
      1  -0.165574D+01  0.144828D+00 -0.466550D+01  0.126979D+01 -0.102848D+01
      2   0.566603D+00  0.469970D+00  0.126979D+01 -0.981505D+01 -0.214588D+01
      3   0.469970D+00  0.143007D+01 -0.102848D+01 -0.214588D+01 -0.274040D+01
               196           197           198           199           200 
      1  -0.351623D+01  0.630123D+00 -0.288143D-01 -0.882843D+01 -0.788300D+00
      2   0.630123D+00 -0.142611D+01 -0.282629D+01 -0.788300D+00 -0.788235D+00
      3  -0.288143D-01 -0.282629D+01 -0.634560D+01 -0.138981D+00  0.335269D+00
               201           202           203           204           205 
      1  -0.138981D+00 -0.321476D+01 -0.134871D+01 -0.833264D+00  0.395574D+01
      2   0.335269D+00 -0.134871D+01 -0.852856D+01  0.224393D+01  0.515021D+00
      3  -0.181084D+01 -0.833264D+00  0.224393D+01 -0.218855D+01 -0.219699D+00
               206           207           208           209           210 
      1   0.515021D+00 -0.219699D+00 -0.216530D+01  0.898903D+00  0.237968D+01
      2   0.194795D+01 -0.250726D+01  0.898903D+00 -0.823412D+00 -0.127061D+01
      3  -0.250726D+01  0.720526D+01  0.237968D+01 -0.127061D+01 -0.402844D+01
               211           212           213           214           215 
      1   0.832029D+00 -0.561746D+00 -0.632254D+00  0.214940D+01 -0.372315D+00
      2  -0.561746D+00  0.589934D+00  0.522942D+00 -0.372315D+00  0.671041D+00
      3  -0.632254D+00  0.522942D+00 -0.489144D-01 -0.229488D+01  0.243219D+00
               216           217           218           219           220 
      1  -0.229488D+01  0.322934D+00 -0.372308D+00  0.998523D-01 -0.107237D+01
      2   0.243219D+00 -0.372308D+00  0.300915D+00 -0.201396D-01  0.855232D+00
      3   0.391600D+01  0.998523D-01 -0.201396D-01 -0.788859D+00 -0.113873D+01
               221           222           223           224           225 
      1   0.855232D+00 -0.113873D+01  0.577988D+00 -0.184424D+00  0.238308D-01
      2  -0.325690D+01  0.325711D+01 -0.184424D+00  0.222049D+01 -0.264639D+01
      3   0.325711D+01 -0.429624D+01  0.238308D-01 -0.264639D+01  0.436599D+01
               226           227           228           229           230 
      1  -0.137721D+01 -0.559717D+00 -0.958064D+00 -0.148297D+01 -0.552853D-01
      2  -0.559717D+00 -0.376035D+00  0.143418D+00 -0.552853D-01  0.893413D+00
      3  -0.958064D+00  0.143418D+00 -0.929476D+00 -0.335566D-01 -0.744000D+00
               231           232           233           234           235 
      1  -0.335566D-01 -0.336712D+01 -0.470494D+00  0.727423D+00  0.769059D+00
      2  -0.744000D+00 -0.470494D+00 -0.112594D+01  0.106156D+01  0.924007D+00
      3  -0.580112D+00  0.727423D+00  0.106156D+01 -0.546396D+01  0.370900D-01
               236           237           238           239           240 
      1   0.924007D+00  0.370900D-01  0.274480D+01  0.187804D+01 -0.667079D+00
      2   0.801271D+00 -0.883261D-01  0.187804D+01  0.882618D+01 -0.117575D+01
      3  -0.883261D-01 -0.223458D+00 -0.667079D+00 -0.117575D+01  0.809318D+00
               241           242           243           244           245 
      1   0.201883D+00 -0.584459D-02  0.137071D+00  0.594487D+01  0.208337D+01
      2  -0.584459D-02  0.151181D-02  0.970077D+00  0.208337D+01  0.122463D+01
      3   0.137071D+00  0.970077D+00 -0.449592D+00 -0.344516D+01 -0.105742D+01
               246           247           248           249           250 
      1  -0.344516D+01  0.250170D+01  0.190742D+01 -0.119034D+01 -0.571539D+01
      2  -0.105742D+01  0.190742D+01  0.119951D+01 -0.142532D+01 -0.173395D+01
      3   0.251727D+01 -0.119034D+01 -0.142532D+01  0.138366D+01  0.490296D+01
               251           252           253           254           255 
      1  -0.173395D+01  0.490296D+01  0.419046D+01  0.202539D+01  0.185413D+01
      2  -0.166629D+01  0.220100D+01  0.202539D+01  0.119188D+01  0.644987D+00
      3   0.220100D+01 -0.485004D+01  0.185413D+01  0.644987D+00  0.149246D+01
               256           257           258           259           260 
      1   0.278195D+01  0.182087D+01  0.796468D+00  0.404363D+01  0.147849D+01
      2   0.182087D+01  0.156204D+01  0.116652D+01  0.147849D+01  0.186086D+01
      3   0.796468D+00  0.116652D+01  0.116942D+01  0.295353D+01  0.169200D+01
               261           262           263           264           265 
      1   0.295353D+01 -0.220057D+01 -0.124984D+01 -0.937087D+00 -0.174059D+01
      2   0.169200D+01 -0.124984D+01 -0.510900D+00 -0.229322D+00 -0.208863D+00
      3   0.296628D+01 -0.937087D+00 -0.229322D+00 -0.121438D+01 -0.620400D-01
               266           267           268           269           270 
      1  -0.208863D+00 -0.620400D-01 -0.134710D+01 -0.190129D+00 -0.440241D+00
      2  -0.872313D+00 -0.972610D+00 -0.190129D+00 -0.160406D+01 -0.151789D+01
      3  -0.972610D+00 -0.118347D+01 -0.440241D+00 -0.151789D+01 -0.358682D+01
               271           272           273           274           275 
      1   0.131253D+02 -0.414956D+01 -0.157115D+01 -0.408134D+01  0.300727D+01
      2  -0.414956D+01  0.235241D+01  0.337262D+00  0.300727D+01 -0.184982D+01
      3  -0.157115D+01  0.337262D+00  0.762659D+00  0.560552D+00 -0.392414D+00
               276           277           278           279           280 
      1   0.560552D+00 -0.570385D+00  0.311133D+00  0.131415D+01  0.819859D+01
      2  -0.392414D+00  0.311133D+00 -0.163017D+00 -0.813950D+00 -0.128750D+01
      3  -0.593798D+00  0.131415D+01 -0.813950D+00 -0.355939D+00  0.383620D+01
               281           282           283           284           285 
      1  -0.128750D+01  0.383620D+01  0.336110D+00  0.137255D+01 -0.993831D-01
      2   0.712195D+00 -0.843150D+00  0.137255D+01 -0.902764D+00  0.881907D+00
      3  -0.843150D+00  0.302208D+01 -0.993831D-01  0.881907D+00  0.308700D+00
               286           287           288           289           290 
      1   0.694881D+01 -0.177018D+01  0.480986D+01 -0.453156D+00 -0.101407D+01
      2  -0.177018D+01  0.107218D+01 -0.103178D+01 -0.101407D+01 -0.619638D+00
      3   0.480986D+01 -0.103178D+01  0.513757D+01  0.626688D-01  0.597196D-01
               291           292           293           294           295 
      1   0.626688D-01 -0.275232D+01  0.183900D+01 -0.136214D+00  0.352602D+00
      2   0.597196D-01  0.183900D+01 -0.744707D+01  0.869434D+00 -0.266555D+00
      3   0.435862D-01 -0.136214D+00  0.869434D+00 -0.899832D+00  0.771585D+00
               296           297           298           299           300 
      1  -0.266555D+00  0.771585D+00  0.269637D+01  0.328026D+01  0.978149D+00
      2   0.150842D+00 -0.825496D+00  0.328026D+01  0.596571D+01  0.109737D+01
      3  -0.825496D+00  0.361507D+00  0.978149D+00  0.109737D+01  0.589441D+00
               301           302           303           304           305 
      1   0.222850D+01  0.305922D+01  0.673941D+00  0.530148D+00  0.672146D+00
      2   0.305922D+01  0.105424D+02  0.162806D+01  0.672146D+00  0.100160D+01
      3   0.673941D+00  0.162806D+01  0.106608D+01  0.452973D+00  0.182301D+01
               306           307           308           309           310 
      1   0.452973D+00 -0.310779D+01  0.146365D+01  0.157234D+01  0.653339D+00
      2   0.182301D+01  0.146365D+01 -0.130727D+01 -0.984092D+00 -0.766139D+00
      3   0.685314D+00  0.157234D+01 -0.984092D+00 -0.173371D+01 -0.490282D+00
               311           312           313           314           315 
      1  -0.766139D+00 -0.490282D+00  0.165730D+01 -0.101360D+01 -0.163470D+01
      2   0.182906D+01  0.123702D+01 -0.101360D+01  0.214066D+01  0.153811D+01
      3   0.123702D+01  0.857352D+00 -0.163470D+01  0.153811D+01  0.273562D+01
               316           317           318           319           320 
      1   0.333137D+01  0.134214D+01 -0.162840D+01  0.376480D+00  0.735660D+00
      2   0.134214D+01  0.125379D+01 -0.985431D+00  0.735660D+00  0.160213D+01
      3  -0.162840D+01 -0.985431D+00  0.183113D+01 -0.441172D+00 -0.117103D+01
               321           322           323           324           325 
      1  -0.441172D+00 -0.154234D+01 -0.103419D+01  0.161890D+01 -0.253080D+01
      2  -0.117103D+01 -0.103419D+01 -0.201304D+01  0.150209D+01  0.310024D+01
      3   0.777990D+00  0.161890D+01  0.150209D+01 -0.277147D+01 -0.989986D+00
               326           327           328           329           330 
      1   0.310024D+01 -0.989986D+00  0.203588D+01 -0.286940D+01  0.700546D+00
      2  -0.589648D+01  0.117894D+01 -0.286940D+01  0.105293D+02 -0.176804D+01
      3   0.117894D+01 -0.610020D+00  0.700546D+00 -0.176804D+01  0.112459D+01
               331           332           333           334           335 
      1  -0.526906D+00  0.713735D+00 -0.430999D+00  0.279566D+01  0.962652D+00
      2   0.713735D+00 -0.117364D+01  0.186886D+01  0.962652D+00  0.801209D+00
      3  -0.430999D+00  0.186886D+01 -0.761947D+00 -0.244880D+01 -0.114419D+01
               336           337           338           339           340 
      1  -0.244880D+01  0.884672D+00  0.570558D+00 -0.490723D+00 -0.224907D+01
      2  -0.114419D+01  0.570558D+00  0.582013D+00 -0.490601D+00 -0.317819D+00
      3   0.394394D+01 -0.490723D+00 -0.490601D+00 -0.234847D+00  0.226518D+01
               341           342           343           344           345 
      1  -0.317819D+00  0.226518D+01 -0.308116D+00 -0.458946D+00 -0.270123D+00
      2  -0.656761D+00  0.122670D+00 -0.458946D+00 -0.298452D+00 -0.221952D-01
      3   0.122670D+00 -0.362704D+01 -0.270123D+00 -0.221952D-01  0.811479D+00
               346           347           348           349           350 
      1  -0.108849D+01 -0.742575D+00 -0.103878D+01 -0.550519D+00 -0.160066D+00
      2  -0.742575D+00 -0.323747D+01 -0.323420D+01 -0.160066D+00 -0.230211D+01
      3  -0.103878D+01 -0.323420D+01 -0.429985D+01  0.526819D-01 -0.262466D+01
               351           352           353           354           355 
      1   0.526819D-01 -0.475955D+01  0.284940D+01  0.371486D-01  0.499043D+01
      2  -0.262466D+01  0.284940D+01 -0.311253D+01  0.333506D+00 -0.489075D+01
      3  -0.413718D+01  0.371486D-01  0.333506D+00 -0.251944D+00 -0.277938D+00
               356           357           358           359           360 
      1  -0.489075D+01 -0.277938D+00 -0.205575D+01  0.172732D+01 -0.466055D+00
      2   0.766699D+01 -0.183456D+00  0.172732D+01 -0.203668D+01  0.128331D+01
      3  -0.183456D+00  0.993440D+00 -0.466055D+00  0.128331D+01 -0.648759D+00
               361           362           363           364           365 
      1   0.227151D+01  0.639967D+00  0.876768D+00  0.132096D+01 -0.320775D+00
      2   0.639967D+00  0.562504D+00  0.751896D+00 -0.320775D+00  0.223624D+01
      3   0.876768D+00  0.751896D+00  0.101074D+01  0.113838D+00  0.139220D+01
               366           367           368           369           370 
      1   0.113838D+00  0.206836D+01  0.747247D+00  0.124283D+00 -0.793379D+01
      2   0.139220D+01  0.747247D+00  0.168763D+01  0.227363D+01  0.251905D+01
      3   0.121864D+01  0.124283D+00  0.227363D+01  0.376246D+01  0.389344D+01
               371           372           373           374           375 
      1   0.251905D+01  0.389344D+01  0.364786D+01 -0.222772D+01 -0.219511D+01
      2  -0.143154D+01 -0.168549D+01 -0.222772D+01  0.208385D+01  0.178729D+01
      3  -0.168549D+01 -0.281292D+01 -0.219511D+01  0.178729D+01  0.163908D+01
               376           377           378           379           380 
      1   0.377446D+01 -0.160627D+01 -0.365227D+01  0.210682D+01 -0.881094D+00
      2  -0.160627D+01  0.118568D+01  0.146208D+01 -0.881094D+00  0.790071D+00
      3  -0.365227D+01  0.146208D+01  0.364994D+01  0.968855D+00 -0.553605D+00
               381           382           383           384           385 
      1   0.968855D+00 -0.150884D+01  0.574664D+00 -0.595298D+00  0.143265D+01
      2  -0.553605D+00  0.574664D+00 -0.212964D+01  0.138500D+01 -0.440105D+00
      3   0.459977D+00 -0.595298D+00  0.138500D+01 -0.185485D+01 -0.255821D+00
               386           387           388           389           390 
      1  -0.440105D+00 -0.255821D+00 -0.107448D+02 -0.373159D+01  0.130237D+01
      2   0.134625D+01 -0.140373D+01 -0.373159D+01 -0.200370D+01  0.601216D+00
      3  -0.140373D+01  0.330487D+01  0.130237D+01  0.601216D+00 -0.856178D+00
               391           392           393           394           395 
      1  -0.581807D+01 -0.345538D+01  0.109544D+01  0.290086D+01  0.143893D+01
      2  -0.345538D+01 -0.268328D+01  0.337462D+00  0.143893D+01  0.574114D+00
      3   0.109544D+01  0.337462D+00 -0.486048D+00 -0.178566D+01 -0.492523D+00
               396           397           398           399           400 
      1  -0.178566D+01 -0.441128D+01  0.135461D+01 -0.189331D+01  0.299232D+01
      2  -0.492523D+00  0.135461D+01 -0.103905D+01  0.829508D+00 -0.240569D+01
      3   0.865217D+00 -0.189331D+01  0.829508D+00 -0.109074D+01  0.187461D+01
               401           402           403           404           405 
      1  -0.240569D+01  0.187461D+01 -0.354354D+01  0.160342D+01 -0.226398D+01
      2   0.256344D+01 -0.142732D+01  0.160342D+01 -0.133207D+01  0.146346D+01
      3  -0.142732D+01  0.183694D+01 -0.226398D+01  0.146346D+01 -0.293851D+01
               406           407           408           409           410 
      1   0.364360D+00 -0.104304D+01  0.105699D+01 -0.313572D+01 -0.181943D+01
      2  -0.104304D+01 -0.245938D-01 -0.134574D+00 -0.181943D+01 -0.498714D+01
      3   0.105699D+01 -0.134574D+00  0.112636D+00 -0.384361D+00  0.681344D+00
               411           412           413           414           415 
      1  -0.384361D+00  0.279830D+01 -0.528808D-01 -0.336548D+00 -0.352423D+01
      2   0.681344D+00 -0.528808D-01  0.142765D+01 -0.120331D+01 -0.142159D+01
      3  -0.948892D+00 -0.336548D+00 -0.120331D+01  0.564991D+00 -0.236798D+01
               416           417           418           419           420 
      1  -0.142159D+01 -0.236798D+01 -0.205117D+01 -0.206471D+01 -0.154880D+01
      2  -0.107517D+01 -0.136283D+01 -0.206471D+01 -0.256278D+01 -0.190196D+01
      3  -0.136283D+01 -0.192486D+01 -0.154880D+01 -0.190196D+01 -0.189472D+01
               421           422           423 
      1  -0.467736D+01 -0.238150D+01 -0.377571D+01
      2  -0.238150D+01 -0.228631D+01 -0.312995D+01
      3  -0.377571D+01 -0.312995D+01 -0.587862D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.726153D+01  0.216095D+00 -0.401156D+01  0.308388D+01  0.723471D+01
      2   0.126750D+01  0.279840D+01  0.116348D+02  0.893506D+01  0.466040D+01
      3  -0.183309D+02  0.355077D+01  0.262538D+01  0.159957D+02  0.212012D+02
                 6             7             8             9            10 
      1  -0.523411D+01  0.209542D+01  0.626185D+01 -0.124124D+02  0.398276D+01
      2   0.415402D+01 -0.949604D+01 -0.307761D+01  0.234128D+02 -0.182435D+02
      3  -0.234763D+01  0.124435D+01  0.959658D+00  0.112880D+01  0.712815D+01
                11            12            13            14            15 
      1   0.148025D+02 -0.872200D+00  0.240406D+02 -0.428556D+01 -0.404733D+01
      2  -0.132792D+02  0.211341D+01 -0.365552D+02 -0.560197D+01  0.105682D+02
      3  -0.124595D+02  0.628864D+01  0.524305D+01  0.838036D+01 -0.103528D+02
                16            17            18            19            20 
      1   0.170060D+01 -0.787095D+01  0.995891D+01 -0.673909D+01  0.112452D+02
      2   0.707139D+01  0.130847D+01 -0.178150D+02 -0.266521D+02  0.140966D+01
      3  -0.362488D+01  0.525419D+01  0.196213D+01  0.153693D+02 -0.103709D+02
                21            22            23            24            25 
      1  -0.600509D+01 -0.693078D+00 -0.346866D+00 -0.142939D+01  0.408757D+01
      2  -0.552791D+01  0.278598D+02 -0.105516D+02 -0.140985D+02 -0.319484D+02
      3   0.576024D+01 -0.947662D+00  0.156604D+01  0.115475D+02  0.406401D+01
                26            27            28            29            30 
      1  -0.627304D+01 -0.297700D+01 -0.143169D+01  0.268095D+01 -0.319294D+01
      2  -0.548457D+01  0.559177D+01 -0.169202D+00  0.155705D+01 -0.587186D+01
      3   0.146955D+02 -0.340042D+01  0.358287D+01 -0.622088D+01 -0.392347D+00
                31            32            33            34            35 
      1   0.691349D+00  0.986341D+01 -0.539211D+01 -0.859994D+01  0.144184D+01
      2  -0.290021D+01  0.445753D+01 -0.519829D+01 -0.182004D+02 -0.296315D+01
      3   0.134871D+02 -0.279280D+02 -0.101573D+01  0.298945D+00 -0.572076D+01
                36            37            38            39            40 
      1  -0.510270D+00 -0.374859D+01  0.316676D+00  0.248729D+01  0.567862D+00
      2   0.857524D+00 -0.259517D+01  0.291138D+01  0.181482D+02  0.196912D+01
      3   0.854406D+01 -0.203420D+02 -0.251251D+01  0.269880D-01  0.160074D+01
                41            42            43            44            45 
      1   0.247862D+01 -0.146185D+01  0.322800D+01  0.353680D+01 -0.225565D+01
      2   0.515213D+01  0.108376D+02  0.188610D+02  0.113935D+02  0.565159D+01
      3   0.152971D+02 -0.545350D+01 -0.132149D+01 -0.482975D+01 -0.133770D+02
                46            47            48            49            50 
      1   0.484024D+01 -0.250840D+00  0.369175D+01 -0.190051D+01 -0.346479D+01
      2   0.590853D+01 -0.131345D+01 -0.185684D+02 -0.165071D+01 -0.423161D+01
      3   0.250812D+02 -0.416057D+01 -0.167561D+01 -0.996850D+00 -0.160252D+02
                51            52            53            54            55 
      1   0.234913D+01  0.680091D+01  0.741924D+01  0.136527D+01  0.115597D+01
      2  -0.126430D+02 -0.381217D+02 -0.161038D+02  0.126660D+00 -0.886168D+01
      3   0.444731D+01  0.670090D+00  0.317291D+01  0.822697D+01  0.169262D+02
                56            57            58            59            60 
      1  -0.111455D+02  0.757601D+00 -0.993380D+01 -0.396318D+01 -0.315877D+01
      2  -0.289763D+01  0.157033D+02  0.153415D+02  0.534290D+01 -0.425610D+01
      3   0.609956D+01 -0.149989D+01  0.259527D+01  0.244492D+01  0.242775D+01
                61            62            63            64            65 
      1  -0.124266D+02  0.841332D+01 -0.488251D+01 -0.757769D+01 -0.477811D+01
      2   0.622048D+01  0.531899D+01  0.607150D+01  0.218014D+02  0.668984D+01
      3   0.260855D+01 -0.555851D+01  0.593198D+01 -0.130914D+02 -0.161027D+01
                66            67            68            69            70 
      1  -0.562802D+00  0.616308D+01 -0.989665D+01  0.270339D+01 -0.718810D+01
      2   0.410732D+01  0.920565D+00  0.391051D+01  0.705723D+01  0.124693D+01
      3  -0.726283D+00  0.473773D+00  0.596110D+01 -0.103594D+02 -0.189335D+00
                71            72            73            74            75 
      1   0.991280D+01 -0.650893D+01  0.203688D+02 -0.125723D+02  0.103377D+02
      2   0.775589D+01  0.106121D+02 -0.298105D+00 -0.271181D+01  0.240918D+01
      3  -0.617815D+01 -0.166018D+01 -0.196043D+02  0.226131D+01 -0.789644D+01
                76            77            78            79            80 
      1   0.577136D+01  0.375257D+02  0.276171D+01  0.101549D+02  0.757870D+01
      2  -0.785079D+01  0.555300D+01  0.518353D+01  0.427159D+01  0.499449D+01
      3  -0.220377D+00 -0.306615D+02 -0.525159D+01 -0.129912D+02  0.215183D+01
                81            82            83            84            85 
      1   0.132091D+02  0.260295D+01 -0.113847D+01 -0.121972D+02 -0.788348D+01
      2  -0.166328D+01 -0.271519D+01  0.392393D+01  0.593367D+01  0.165971D+01
      3  -0.127734D+02  0.658296D+01 -0.163181D+02 -0.703384D+01 -0.113159D+00
                86            87            88            89            90 
      1  -0.117152D+02 -0.482590D+01 -0.150303D+02  0.696109D+01 -0.100447D+02
      2  -0.566824D+00  0.440535D+00  0.974427D+00  0.107371D+01 -0.286296D+01
      3  -0.431073D+01  0.366934D+01 -0.651952D+01  0.662320D+00  0.145984D+02
                91            92            93            94            95 
      1  -0.260091D+01 -0.420290D+00  0.123615D+02 -0.716987D+01  0.110658D+02
      2  -0.222422D+01 -0.407032D+01  0.548632D+01 -0.649235D+00 -0.914348D+00
      3  -0.742606D+01 -0.165847D+02  0.744350D+01  0.220372D+00  0.487867D+01
                96            97            98            99           100 
      1  -0.500094D+01  0.155385D+02  0.733230D+01  0.102767D+02 -0.207665D+02
      2  -0.532219D+00 -0.130421D-01 -0.158647D+01 -0.297036D+01  0.439051D+01
      3   0.295461D+01  0.572789D+01  0.236222D+00 -0.145656D+02  0.216241D+02
               101           102           103           104           105 
      1  -0.107720D+02 -0.101205D+02  0.450866D+01 -0.368325D+02  0.380655D+01
      2   0.462774D+01  0.214435D+01  0.651897D+01  0.696202D+01 -0.458338D+01
      3   0.147409D+01  0.631121D+01 -0.140103D+00  0.303304D+02 -0.519641D+01
               106           107           108           109           110 
      1  -0.102116D+02  0.532417D+01 -0.150731D+02 -0.194574D+00  0.134773D+02
      2   0.500360D+01 -0.581997D+01  0.618347D+00 -0.182015D+02  0.106659D+02
      3   0.137072D+02  0.295946D+01  0.142497D+02 -0.711680D+01 -0.144168D+02
               111           112           113           114           115 
      1  -0.360492D+00  0.250965D+02  0.169409D+01 -0.298352D+01 -0.374706D+01
      2  -0.104276D+01  0.311710D+02 -0.930987D+01 -0.942513D+01  0.624995D+01
      3  -0.586513D+01  0.239340D+01 -0.102517D+02 -0.735872D+01  0.771585D+00
               116           117           118           119           120 
      1  -0.747043D+01 -0.989887D+01  0.944831D+01  0.114514D+02  0.558134D+01
      2  -0.101558D+01 -0.173740D+02 -0.288526D+02 -0.467824D+01 -0.524130D+01
      3   0.511936D+01 -0.161472D+01 -0.137052D+02 -0.116580D+02 -0.502200D+01
               121           122           123           124           125 
      1  -0.268996D+01  0.144006D+01 -0.244651D+01 -0.595925D+01 -0.650936D+01
      2  -0.261189D+02 -0.805578D+01  0.169272D+02 -0.308408D+02  0.711498D+01
      3   0.190112D+01  0.151953D+01  0.110822D+02 -0.181432D+01  0.145527D+02
               126           127           128           129           130 
      1   0.469006D+01 -0.512626D+01 -0.119395D+02 -0.294755D+00 -0.108432D+02
      2   0.780017D+01 -0.106401D+02  0.493746D+01  0.180289D+02 -0.138518D+02
      3   0.227975D+01 -0.135522D+02  0.715937D+01  0.138417D+01  0.369758D+01
               131           132           133           134           135 
      1   0.346510D+01 -0.368337D+01  0.142701D+02  0.757624D+01  0.552701D+01
      2   0.537610D+01  0.397049D+01  0.396803D+01 -0.606877D+01  0.645153D+01
      3  -0.210392D+01  0.163213D+01 -0.424117D+01 -0.509819D+01 -0.538664D+01
               136           137           138           139           140 
      1   0.837262D+01 -0.503852D+01  0.945703D+00  0.712888D+01  0.121417D+02
      2   0.229222D+02 -0.712845D+01  0.374814D+01 -0.166741D+01  0.399652D+01
      3   0.121683D+02 -0.181166D+01  0.476575D+00 -0.634297D+00 -0.786116D+01
               141           142           143           144           145 
      1   0.311698D+01  0.800636D+01  0.106233D+02  0.736672D+01  0.478131D+01
      2  -0.948511D+01  0.283899D+01 -0.828405D+01  0.106200D+02  0.474719D+01
      3  -0.100332D+02  0.438452D+00 -0.623776D+01  0.100052D+01  0.288890D+01
               146           147           148           149           150 
      1   0.541239D+01  0.232012D+01  0.662572D+01 -0.125703D+00  0.100367D+00
      2   0.522823D+01  0.101212D+02 -0.328735D+01  0.238393D+01  0.787221D+01
      3   0.347501D+01 -0.107481D+02  0.163648D+02 -0.621537D+01 -0.419331D+01
               151           152           153           154           155 
      1  -0.303009D+01  0.999467D+01  0.583806D+01 -0.416610D+01 -0.312190D+01
      2  -0.355684D+01  0.152825D+02  0.157537D+02  0.887227D+01 -0.134432D+02
      3  -0.116962D+02 -0.592304D+01 -0.113955D+02 -0.160304D+02 -0.666602D+01
               156           157           158           159           160 
      1   0.485383D+01 -0.552380D+01  0.142095D+01 -0.526424D+01  0.715384D+01
      2  -0.236686D+01 -0.182256D+02  0.764744D+01 -0.110748D+02 -0.850192D+01
      3   0.171711D+02 -0.486222D+01  0.433288D+01 -0.319665D+01  0.217500D+02
               161           162           163           164           165 
      1   0.448503D-02  0.276404D+01  0.746661D+00 -0.144727D+01 -0.150792D+01
      2  -0.126001D+02  0.422523D+01 -0.262372D+01  0.184773D+02  0.477090D+01
      3  -0.343125D+01  0.834559D+01  0.178696D+02  0.552327D+01 -0.176137D+02
               166           167           168           169           170 
      1  -0.192766D+01 -0.102564D+01 -0.346691D+01 -0.324074D+01  0.286091D+00
      2   0.288468D+02 -0.352279D+01  0.948889D+01 -0.293886D+01  0.105910D+02
      3   0.174637D+02 -0.368588D+01  0.552518D+01 -0.279092D+02  0.359150D+01
               171           172           173           174           175 
      1  -0.371385D+00 -0.117362D+01  0.339460D+01  0.583734D+00  0.245147D+01
      2  -0.206309D+01  0.560098D+01 -0.938718D+01 -0.483253D+01 -0.728694D+01
      3  -0.109803D+02 -0.212261D+01 -0.591422D+00  0.998305D+01  0.138344D+02
               176           177           178           179           180 
      1  -0.936871D+01  0.180786D+01  0.585803D+01  0.117420D+02  0.242376D+01
      2   0.121461D+02 -0.725133D+01 -0.208417D+02 -0.132628D+02 -0.507658D+01
      3   0.142582D+02 -0.996205D+01  0.114548D+02 -0.935636D+01  0.105681D+02
               181           182           183           184           185 
      1  -0.142559D+00  0.127093D+02  0.831995D+00 -0.256139D+02 -0.167097D+01
      2   0.471568D+02  0.110670D+01  0.295076D+02  0.322524D+01 -0.175228D+01
      3  -0.242463D+01 -0.191983D+02  0.613068D+00  0.682450D+02 -0.135012D+01
               186           187           188           189           190 
      1  -0.450930D+02 -0.426434D+00  0.238002D+02 -0.169162D+01  0.410937D+01
      2   0.731299D-01 -0.506230D+02  0.165403D+01 -0.233130D+02  0.270466D+01
      3   0.881820D+01 -0.149281D+01 -0.168863D+02 -0.683381D+00 -0.101194D+02
               191           192           193           194           195 
      1  -0.510758D+01  0.110694D+01 -0.755586D+01  0.685173D+01 -0.997451D+01
      2  -0.923947D+00  0.530658D+01 -0.525958D+00  0.889490D+00 -0.229647D+01
      3  -0.755063D+01 -0.195784D+01  0.984817D+01  0.650998D+01  0.668075D+01
               196           197           198           199           200 
      1  -0.858578D+00  0.904658D+01 -0.482293D+01 -0.467508D+01 -0.607952D+01
      2  -0.720151D+01 -0.570635D+00  0.793238D+00  0.302440D+01  0.309741D+00
      3  -0.132996D+01  0.498687D+01  0.131311D+01  0.877960D+01 -0.900611D+01
               201           202           203           204           205 
      1  -0.188160D+01 -0.806492D+01 -0.442545D+01 -0.843983D+01  0.850505D+00
      2   0.712167D+01 -0.120194D+01  0.149751D+01  0.202957D+01 -0.589698D+01
      3   0.220344D+01  0.724153D+01 -0.503863D+01  0.670804D+01  0.243700D+01
               206           207           208           209           210 
      1   0.104432D+02  0.511677D+01  0.159610D+01 -0.267943D+01  0.203107D+00
      2   0.553546D-02  0.145917D+00  0.101708D+02 -0.412195D+01 -0.874560D+01
      3   0.625794D+01 -0.785231D+00 -0.176047D+01  0.665144D-01  0.310542D+01
               211           212           213           214           215 
      1  -0.161784D+01  0.109828D+01  0.113329D+01  0.162900D+01  0.225300D+01
      2  -0.580424D+01  0.250571D+01  0.165250D+01 -0.117039D+02  0.752505D+00
      3   0.301645D+01 -0.796485D+00 -0.716734D+00  0.358430D+01  0.661521D+00
               216           217           218           219           220 
      1  -0.224044D+01 -0.622811D+00  0.185878D+01 -0.459209D+00  0.234654D+01
      2   0.919988D+01 -0.238637D+00  0.660668D+00 -0.153453D+01  0.191649D+01
      3  -0.226687D+01  0.744126D+00 -0.187138D+01 -0.216938D+00  0.747979D+00
               221           222           223           224           225 
      1  -0.832500D+01  0.536027D+01 -0.405772D-01  0.730189D+01 -0.471770D+01
      2   0.355645D+01 -0.483651D+01 -0.264765D+01 -0.507806D+01  0.748698D+01
      3   0.541991D+01 -0.565510D+01 -0.645488D+00 -0.505408D+01  0.507457D+01
               226           227           228           229           230 
      1   0.377405D+01 -0.863374D-01  0.241141D+01 -0.758679D+00  0.608159D+00
      2  -0.949205D+01  0.439749D-01 -0.646697D+01 -0.217174D+01 -0.428526D+01
      3  -0.210738D+01  0.127958D+00 -0.310772D+01 -0.176075D+01 -0.322206D+01
               231           232           233           234           235 
      1   0.187923D+01 -0.119744D+01  0.137308D+01  0.130469D+02 -0.143061D+01
      2  -0.234008D+01 -0.491330D+01  0.374894D+01 -0.250502D+02  0.229608D+01
      3   0.312619D+01 -0.469841D+01  0.179838D+01 -0.320604D+01 -0.198979D+01
               236           237           238           239           240 
      1  -0.895638D+00  0.313175D+00  0.283108D+00 -0.725642D+01 -0.310189D+01
      2   0.515755D+00 -0.269333D+00 -0.402453D+00 -0.527990D+01  0.329600D+01
      3  -0.721534D+00  0.417902D+00  0.413042D+01 -0.295825D+02  0.199377D+01
               241           242           243           244           245 
      1   0.134819D+00 -0.116336D+01  0.371221D+00  0.196216D+01 -0.769125D+00
      2  -0.546918D+00  0.350885D+01 -0.254239D+01 -0.119130D+02 -0.364439D+01
      3   0.992514D+00 -0.803181D+00 -0.340690D+01 -0.382508D+01 -0.526114D+01
               246           247           248           249           250 
      1  -0.290115D+01  0.322513D+00  0.266132D+00 -0.135882D+01 -0.496559D+01
      2   0.121154D+02 -0.377576D+01 -0.574164D+01  0.675919D+01  0.181368D+02
      3   0.124173D+01 -0.467400D+01 -0.382829D+01  0.552985D+01  0.606662D+00
               251           252           253           254           255 
      1   0.103224D+01  0.447861D+01 -0.368274D+01 -0.975680D+00 -0.244144D+01
      2   0.100012D+02 -0.219731D+02  0.106480D+02  0.417418D+01  0.985662D+01
      3   0.783891D+01 -0.508309D+01 -0.550241D+01 -0.526447D+01 -0.545687D+00
               256           257           258           259           260 
      1  -0.185465D+01 -0.181723D+01 -0.344057D+01 -0.399457D+01 -0.158320D+01
      2   0.530105D+01  0.690641D+01  0.671233D+01  0.150958D+02  0.901934D+01
      3  -0.343492D+01 -0.589683D+01 -0.526025D+01 -0.932921D+00 -0.956366D+01
               261           262           263           264           265 
      1  -0.539265D+01  0.121912D+01  0.118601D+01 -0.125299D+01  0.659225D+00
      2   0.183198D+02 -0.108721D+02 -0.349537D+01 -0.786580D+01 -0.274640D+01
      3  -0.474565D+01  0.119060D+02  0.491919D+01  0.267320D+01  0.659237D+01
               266           267           268           269           270 
      1  -0.480858D-01 -0.123577D+01 -0.117728D+00  0.207388D+01 -0.229798D+01
      2  -0.664784D+01 -0.643209D+01 -0.100099D+02 -0.865455D+01 -0.206546D+02
      3   0.598992D+01  0.610294D+01  0.429471D+01  0.891622D+01  0.952926D+01
               271           272           273           274           275 
      1   0.853656D+00 -0.196511D+01  0.138991D+01 -0.116088D+01  0.771511D+00
      2  -0.856633D+00 -0.574444D+00  0.558554D+01  0.227653D-01 -0.468296D+00
      3   0.951725D+01 -0.119546D+02 -0.348781D+00 -0.962490D+01  0.729450D+01
               276           277           278           279           280 
      1  -0.137491D+01  0.675113D+00  0.238226D+00  0.129791D+00  0.300450D+01
      2  -0.382987D+01  0.418821D+01 -0.417015D+01 -0.139207D+01  0.254571D+01
      3   0.134809D+01 -0.739050D+00  0.421079D+00  0.364226D+01 -0.469226D+01
               281           282           283           284           285 
      1   0.248744D+00  0.388950D+01  0.130618D+01  0.108233D+00  0.807645D+00
      2  -0.104951D+01  0.976416D+01 -0.161655D+01  0.141901D+01  0.189352D+01
      3  -0.355716D+01 -0.142401D+01 -0.558954D+01  0.303784D+01 -0.354112D+01
               286           287           288           289           290 
      1   0.413888D+01  0.224853D+01  0.578332D+01 -0.221296D+01 -0.202575D+01
      2   0.765648D+01 -0.115806D+01  0.150100D+02  0.115550D+01  0.216027D+00
      3  -0.392438D+00 -0.339345D+01 -0.141364D+01  0.766344D+01  0.514071D+01
               291           292           293           294           295 
      1  -0.534230D+00  0.206243D+01 -0.890125D+01 -0.342482D+01 -0.518204D+00
      2   0.560103D-01  0.306258D+01 -0.168881D+01 -0.395210D+01 -0.560170D+00
      3   0.103436D+01 -0.589074D+00  0.340495D+02 -0.278692D+01  0.260976D+01
               296           297           298           299           300 
      1  -0.528772D+00 -0.205620D+01 -0.638464D+00  0.433198D+01 -0.259331D+01
      2  -0.346559D+01 -0.159205D+01 -0.259937D+01 -0.182540D+01  0.489578D+00
      3   0.134652D+01  0.421490D+01  0.112249D+02  0.718334D+01  0.385384D+01
               301           302           303           304           305 
      1  -0.771151D+00  0.571285D+01 -0.585983D+01 -0.163495D+01 -0.483682D+01
      2  -0.193615D+01 -0.590917D+00  0.585850D+00 -0.137606D+01  0.584794D+00
      3   0.107250D+02  0.646965D+01  0.305830D+01  0.240498D+01  0.138674D+01
               306           307           308           309           310 
      1  -0.175266D+00 -0.454396D+01  0.148685D+01  0.748673D+01  0.123804D+01
      2   0.711684D+00  0.758353D+01 -0.180374D+01 -0.206444D+01 -0.266001D+00
      3   0.757712D+00 -0.166016D+02  0.430618D+01  0.693878D+01  0.373841D+01
               311           312           313           314           315 
      1  -0.404302D+01 -0.208177D+01  0.597341D+01 -0.574371D+00 -0.854869D+01
      2   0.155615D+01  0.666995D+00 -0.538734D+01  0.214225D+01  0.302151D+01
      3  -0.271084D+01 -0.249511D+01  0.825007D+01 -0.465931D+01 -0.801515D+01
               316           317           318           319           320 
      1   0.468495D+01  0.131103D+01 -0.771719D+01  0.972179D+00  0.407584D+01
      2   0.725611D+01  0.137122D+01 -0.160257D+01 -0.362722D+00  0.122407D+01
      3   0.171814D+02  0.368449D+01 -0.694626D+01  0.231899D+01  0.255312D+01
               321           322           323           324           325 
      1  -0.186518D+01 -0.558270D+01 -0.694392D+00  0.851777D+01  0.102792D+01
      2  -0.556567D+00 -0.469755D+01 -0.201198D+01  0.255994D+01 -0.269633D+01
      3  -0.217898D+01 -0.721324D+01 -0.458803D+01  0.759519D+01 -0.111296D+02
               326           327           328           329           330 
      1   0.414372D+01  0.226460D+01 -0.100787D+01 -0.538282D+01 -0.593837D+01
      2   0.159443D+01  0.507442D+00  0.210944D+01 -0.568201D+00 -0.377883D+00
      3   0.707531D+01 -0.382283D+01  0.101690D+02 -0.682681D+01  0.336776D+01
               331           332           333           334           335 
      1   0.135394D+01 -0.478675D+01  0.515468D+00 -0.239121D+01 -0.272399D+01
      2  -0.155148D+01 -0.328546D+00  0.599893D+00  0.130427D+02  0.464097D+01
      3  -0.270760D+01  0.144354D+01 -0.823075D+00  0.223803D+01 -0.214668D+00
               336           337           338           339           340 
      1  -0.487742D+00 -0.150018D+01 -0.121340D+01  0.137487D+01 -0.185684D+01
      2  -0.801975D+01  0.615056D+01  0.226089D+01 -0.122201D+01 -0.120585D+02
      3  -0.265054D+01  0.275884D+01  0.451606D+00 -0.491792D+00 -0.332773D+01
               341           342           343           344           345 
      1   0.234755D+01  0.211934D+01  0.999749D+00  0.134058D+01  0.290238D+00
      2  -0.300027D+00  0.870534D+01 -0.989029D-01 -0.101488D+01 -0.174481D+01
      3   0.822643D+00  0.191343D+01 -0.770223D+00 -0.144325D+01  0.277933D+00
               346           347           348           349           350 
      1   0.186850D+01  0.867119D+01  0.558106D+01  0.305784D+00  0.763488D+01
      2  -0.227161D+01  0.352094D+01  0.468497D+01 -0.282209D+01  0.486921D+01
      3   0.113700D+01 -0.533373D+01 -0.534994D+01  0.677351D+00 -0.513896D+01
               351           352           353           354           355 
      1   0.511809D+01  0.154170D+01 -0.280087D+01  0.229244D+01 -0.235542D+01
      2   0.713338D+01  0.228800D+01 -0.240762D+01  0.261777D+01  0.604840D+00
      3  -0.516474D+01 -0.147567D+01 -0.527849D+01  0.190979D+01 -0.374808D+01
               356           357           358           359           360 
      1   0.489606D+01 -0.487697D+01  0.150891D+01 -0.313178D+01  0.223250D+01
      2   0.808799D+00 -0.529590D+01 -0.359114D-01 -0.528233D+01  0.147498D+01
      3   0.174483D+02 -0.133944D+01  0.302811D+00 -0.411145D+01  0.432931D+01
               361           362           363           364           365 
      1  -0.783092D+00 -0.140102D+01 -0.259586D+01  0.217415D+00 -0.128227D+01
      2  -0.911019D+01 -0.542457D+01 -0.667259D+01 -0.138766D+01 -0.741935D+01
      3   0.106170D+02  0.437319D+01  0.573870D+01  0.391404D+01  0.761840D+01
               366           367           368           369           370 
      1  -0.285848D+01  0.615823D+00 -0.152164D+01 -0.810874D+01  0.446712D+00
      2  -0.600088D+01 -0.813601D+01 -0.113565D+02 -0.176912D+02 -0.690331D+01
      3   0.607982D+01  0.830025D+01  0.854407D+01  0.106697D+02  0.488770D+01
               371           372           373           374           375 
      1  -0.192375D+01  0.164426D+00 -0.763788D+00  0.242816D+01  0.212673D+00
      2   0.470130D+01  0.102129D+02  0.508332D+01 -0.584705D+01 -0.544662D+01
      3  -0.660864D+01 -0.498624D+01 -0.497050D+01  0.933372D+01  0.640835D+01
               376           377           378           379           380 
      1   0.604819D-01  0.227415D+01 -0.119116D+01 -0.255118D+01  0.328507D+01
      2   0.948290D+01 -0.439200D+01 -0.135130D+02 -0.110240D+02  0.590294D+01
      3  -0.477541D+01  0.518955D+01  0.388318D+01 -0.324927D+01  0.494347D+01
               381           382           383           384           385 
      1  -0.215149D+01  0.350027D+01 -0.664674D+01  0.257808D+01 -0.256405D+01
      2  -0.470148D+01  0.908348D+01 -0.998945D+01  0.113576D+02 -0.592603D+01
      3  -0.367875D+01  0.784039D+01 -0.132377D+02  0.697488D+01 -0.374199D+01
               386           387           388           389           390 
      1   0.492128D+01 -0.412316D+01  0.891107D+00  0.133837D-01 -0.117668D+01
      2   0.872437D+01 -0.158390D+02 -0.882491D+01 -0.428395D+01  0.749268D+01
      3   0.634787D+01 -0.703735D+01 -0.161946D+02 -0.120805D+02  0.295407D+01
               391           392           393           394           395 
      1   0.106647D+01 -0.185273D+00 -0.157294D+01 -0.563795D+00  0.793126D+00
      2  -0.797260D+01 -0.242957D+01  0.415316D+01  0.856148D+01  0.275527D+01
      3  -0.145462D+02 -0.146842D+02  0.126270D+01  0.669956D+01  0.351641D+01
               396           397           398           399           400 
      1   0.906708D+00 -0.112907D+01  0.819634D+00  0.274714D-02  0.974859D+00
      2  -0.611117D+01  0.859237D+01 -0.390329D+01  0.607916D+01 -0.825464D+01
      3  -0.194531D+01  0.669902D+01 -0.700722D+01  0.500141D+01 -0.106575D+02
               401           402           403           404           405 
      1  -0.131809D+01 -0.814239D+00 -0.368803D+00  0.223238D+01 -0.857623D-01
      2   0.626857D+01 -0.107567D+02  0.773973D+01 -0.730683D+01  0.156744D+02
      3   0.158681D+02 -0.789587D+01  0.888023D+01 -0.865744D+01  0.797784D+01
               406           407           408           409           410 
      1   0.524686D+01 -0.288391D+01  0.871848D+00 -0.680401D-01  0.847330D+01
      2  -0.351052D+01  0.146325D+01 -0.504375D+00 -0.161287D+01 -0.888252D+01
      3  -0.599936D+01  0.275158D+01 -0.455434D+01 -0.208051D-02 -0.220209D+02
               411           412           413           414           415 
      1  -0.558430D+01 -0.551650D-01 -0.485363D+01  0.467493D+01 -0.206737D+01
      2   0.535861D+01  0.164607D+01  0.840905D+01 -0.797381D+01  0.490918D+01
      3   0.599106D+01 -0.722806D+01  0.969125D+01 -0.882450D+01 -0.132900D+01
               416           417           418           419           420 
      1  -0.789638D+00 -0.212127D+01  0.439177D-01  0.104283D+01 -0.168351D+01
      2   0.366093D+01  0.598248D+01  0.257127D+01  0.434335D+01  0.616822D+01
      3  -0.427312D+01 -0.289778D+01 -0.447241D+01 -0.884845D+01 -0.563192D+01
               421           422           423 
      1  -0.214912D+01 -0.671485D-01 -0.586734D+01
      2   0.563026D+01  0.953915D+01  0.201686D+02
      3  -0.324366D+01 -0.733552D+01 -0.918190D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383014D+02  0.106630D+02  0.946731D+01  0.183937D+02  0.147489D+02
      2   0.222697D+02 -0.700271D+01 -0.396629D+00 -0.155520D+02 -0.350637D+02
      3   0.160317D+02 -0.366028D+01 -0.907068D+01 -0.284168D+01  0.203148D+02
      4   0.185991D+01 -0.148389D+01  0.793073D+00 -0.718807D+01 -0.432044D+02
      5   0.644655D+01 -0.220591D+01  0.963252D+01 -0.358559D+00  0.270274D+01
      6  -0.247828D+01 -0.267347D-01  0.461851D+01  0.314770D+01  0.754731D+01
                 6             7             8             9            10 
      1   0.135513D+01  0.666130D+01  0.209769D+01  0.156311D+02  0.182183D+02
      2   0.470717D+01 -0.245779D+01 -0.105488D+01  0.330862D+01 -0.153757D+02
      3  -0.606230D+01 -0.420351D+01 -0.104281D+01 -0.189397D+02 -0.284254D+01
      4   0.507597D+01  0.533567D+01  0.170922D+01  0.557583D+01  0.263593D+02
      5   0.461459D+01  0.549929D+01  0.117496D+01  0.155981D+02  0.163185D+00
      6   0.166019D+01  0.105961D+01  0.474870D+00  0.805023D+01 -0.219296D+01
                11            12            13            14            15 
      1   0.937787D+01 -0.311099D+01  0.474663D+02  0.715253D+01 -0.851936D+01
      2   0.997829D+01  0.157756D+01 -0.140416D+02 -0.121126D+02  0.245448D+01
      3  -0.193562D+02  0.153343D+01 -0.334247D+02  0.496003D+01  0.606488D+01
      4   0.141473D+02 -0.633607D+01  0.164320D+02  0.129166D+02 -0.248148D-01
      5  -0.360615D+01  0.847165D+01 -0.203586D+01 -0.157537D+01  0.113406D+01
      6   0.639941D+01 -0.187330D+01 -0.573248D+00 -0.243316D+01  0.558560D+01
                16            17            18            19            20 
      1  -0.210464D+02  0.356675D+01  0.705799D+01  0.577058D+02 -0.142601D+02
      2   0.491311D+01 -0.853138D+01 -0.241332D+01 -0.326125D+02  0.146940D+02
      3   0.161333D+02  0.496462D+01 -0.464467D+01 -0.250933D+02 -0.433958D+00
      4  -0.253344D+01 -0.731637D+01  0.851828D+01 -0.239301D+02  0.102442D+02
      5   0.144862D+02  0.609921D+01 -0.780870D+01  0.393719D+02 -0.788687D+01
      6   0.464276D+01  0.269883D+01 -0.357792D+01 -0.817331D+01  0.566185D+01
                21            22            23            24            25 
      1   0.144757D+02 -0.475026D+02  0.351820D+01  0.947896D+01  0.254064D+02
      2  -0.161825D+02  0.170681D+02  0.994952D+01 -0.576485D+01 -0.828481D+01
      3   0.170680D+01  0.304345D+02 -0.134677D+02 -0.371411D+01 -0.171216D+02
      4  -0.693210D+01  0.346616D+01 -0.106419D+02  0.468282D+01  0.147872D+02
      5   0.149895D+02  0.634333D+01  0.632075D+01  0.108481D+01 -0.996354D-01
      6  -0.484162D+01  0.589849D+01 -0.122785D+01 -0.152730D+01  0.176852D+01
                26            27            28            29            30 
      1   0.803796D+01 -0.314115D+01 -0.350025D+02  0.268375D+01 -0.190824D+02
      2  -0.863856D+01 -0.249703D+01  0.270725D+02 -0.793379D+01  0.149757D+02
      3   0.600601D+00  0.563818D+01  0.793000D+01  0.525004D+01  0.410673D+01
      4  -0.133565D+01 -0.161253D+01  0.562668D+01  0.432228D+01  0.110459D+02
      5   0.139403D+01  0.160246D+01 -0.385456D+02  0.106324D+02 -0.346640D+02
      6  -0.343739D+00  0.969233D+01  0.919628D+01 -0.190600D+01  0.773458D+01
                31            32            33            34            35 
      1  -0.245724D+01  0.113690D+02  0.355361D+01 -0.311374D+02  0.135792D+02
      2   0.632662D+01 -0.225905D+02 -0.279203D+00  0.247151D+02 -0.941633D+01
      3  -0.386938D+01  0.112215D+02 -0.327440D+01  0.642228D+01 -0.416292D+01
      4  -0.771496D+01  0.350178D+02 -0.320799D+01  0.173514D+02  0.368042D+01
      5   0.670676D+01 -0.534524D+01 -0.664517D+01 -0.555930D+02 -0.118305D+01
      6  -0.355941D+01  0.664508D+01  0.106265D+01  0.119098D+02 -0.351840D+00
                36            37            38            39            40 
      1  -0.368287D+02 -0.758934D+02  0.465823D+02  0.123466D+02  0.528922D+02
      2   0.267291D+02  0.340755D+02 -0.212851D+02 -0.328589D+01 -0.254814D+02
      3   0.100996D+02  0.418179D+02 -0.252972D+02 -0.906068D+01 -0.274108D+02
      4  -0.164954D+00  0.518107D+02 -0.129082D+02 -0.450898D+01 -0.162928D+02
      5  -0.215211D+02  0.129263D+02 -0.482477D+01  0.228691D+02 -0.384357D+01
      6   0.356971D+01 -0.751321D+01  0.145635D+01 -0.458424D+01  0.106815D+01
                41            42            43            44            45 
      1  -0.114121D+02  0.614028D+00  0.474413D+01  0.212225D+01  0.342688D+02
      2   0.733608D+01  0.137351D+01  0.972432D+00  0.139407D+01 -0.166441D+02
      3   0.407601D+01 -0.198754D+01 -0.571656D+01 -0.351632D+01 -0.176247D+02
      4  -0.167882D+02  0.624694D+01 -0.237379D+01  0.595629D+01  0.155139D+02
      5   0.659475D+01  0.166646D+02  0.326192D+02  0.166674D+02  0.409537D+01
      6   0.673194D+00 -0.367650D+01 -0.373820D+01 -0.324524D+01 -0.505049D+01
                46            47            48            49            50 
      1   0.191051D+02 -0.307359D+02 -0.445218D+00 -0.471839D+02 -0.887881D+01
      2  -0.885244D+01  0.172105D+02 -0.581892D+01  0.259245D+02  0.920359D+01
      3  -0.102526D+02  0.135254D+02  0.626414D+01  0.212594D+02 -0.324784D+00
      4  -0.326304D+02 -0.118215D+02  0.332698D+01 -0.161529D+02  0.183233D+02
      5   0.668638D+01  0.560437D+01 -0.395926D+02  0.570234D+01 -0.389824D+01
      6   0.633218D+01  0.185442D+00 -0.102655D+02  0.915436D+00 -0.363586D+01
                51            52            53            54            55 
      1   0.635172D+00  0.988780D+01 -0.669758D+00 -0.514423D+02 -0.348382D+01
      2  -0.428669D+01 -0.138745D+02 -0.423052D+01  0.269034D+02 -0.947277D+01
      3   0.365152D+01  0.398671D+01  0.490028D+01  0.245389D+02  0.129566D+02
      4  -0.400922D+01  0.291147D+01 -0.416562D+01 -0.393951D+02  0.146316D+02
      5  -0.257310D+02 -0.667199D+02 -0.334436D+02  0.123387D+02  0.163082D+01
      6  -0.708473D+01 -0.181125D+02 -0.750686D+01  0.386565D+01 -0.230484D+01
                56            57            58            59            60 
      1   0.799666D+01 -0.206520D+02 -0.367384D+01 -0.166679D+01  0.368747D+01
      2  -0.910514D+01 -0.114090D+02 -0.165447D+01  0.722303D+01  0.362480D+01
      3   0.110848D+01  0.320609D+02  0.532832D+01 -0.555625D+01 -0.731227D+01
      4  -0.275723D+01 -0.686340D-01  0.435933D+01  0.300469D+01 -0.131418D+01
      5  -0.212086D-01  0.211608D+02 -0.150643D+01 -0.432116D+00  0.638574D+01
      6   0.167757D+01  0.632817D+01 -0.263100D+00  0.371466D+01 -0.812009D+01
                61            62            63            64            65 
      1   0.331541D+01 -0.133577D+02 -0.426774D+01 -0.185763D+01 -0.518555D+01
      2  -0.191468D+02  0.872818D+01 -0.253291D+02  0.482875D+01 -0.365837D+01
      3   0.158314D+02  0.462955D+01  0.295969D+02 -0.297112D+01  0.884393D+01
      4  -0.113489D+02  0.368418D+01  0.514423D+00 -0.122249D+01  0.928638D+01
      5   0.254340D+02 -0.646016D+00  0.289190D+02  0.687677D+01 -0.183406D+01
      6  -0.448995D+01 -0.420674D+01  0.757013D+00 -0.569672D+00 -0.571274D+00
                66            67            68            69            70 
      1   0.621156D+01 -0.742033D+01  0.622656D+01 -0.241479D+02 -0.191273D+01
      2  -0.740824D+01 -0.424891D+00 -0.160420D+02 -0.620076D+01 -0.430549D+01
      3   0.119668D+01  0.784522D+01  0.981543D+01  0.303487D+02  0.621822D+01
      4  -0.262195D+01  0.424005D+01  0.150168D+01  0.830945D+00 -0.407283D+01
      5   0.335913D+01 -0.242318D+00  0.721867D+00  0.161798D+02  0.289859D+01
      6   0.119286D+02  0.486817D+01  0.486952D+01  0.142171D+02  0.424827D+01
                71            72            73            74            75 
      1  -0.208194D+02 -0.217961D+02  0.223200D+00 -0.373631D+01 -0.449921D+01
      2   0.100250D+02 -0.130439D+02  0.961622D+01 -0.578488D+01  0.240940D+01
      3   0.107944D+02  0.348399D+02 -0.983942D+01  0.952119D+01  0.208980D+01
      4   0.775110D+01  0.840085D+01 -0.745051D+01 -0.259742D+00  0.152080D+02
      5   0.777220D+01  0.205302D+02  0.371853D+01  0.116048D+02 -0.816512D+00
      6   0.159071D+02  0.196753D+02  0.104093D+02  0.610685D+01  0.358542D+01
                76            77            78            79            80 
      1   0.102000D+02 -0.320323D+02 -0.951323D+01 -0.177835D+01  0.434247D+01
      2  -0.333247D+01  0.466769D+02  0.544486D+00  0.935859D+00  0.147331D+01
      3  -0.686753D+01 -0.146447D+02  0.896875D+01  0.842487D+00 -0.581578D+01
      4   0.641258D+01  0.231413D+02  0.458881D+01  0.828325D+01  0.793310D+01
      5   0.248622D+01  0.518946D+01  0.460236D+01 -0.232449D+01  0.151636D+01
      6   0.280090D+01  0.232128D+02  0.106819D+02  0.706314D+01  0.794184D+01
                81            82            83            84            85 
      1  -0.837374D+01  0.833220D+01  0.177822D+02 -0.543117D+00  0.123941D+02
      2   0.874512D+01 -0.139741D+02 -0.392281D+02 -0.525123D+01 -0.247088D+02
      3  -0.371384D+00  0.564186D+01  0.214459D+02  0.579434D+01  0.123147D+02
      4  -0.245619D+01 -0.118603D+01 -0.223488D+02 -0.128724D+02 -0.143549D+02
      5   0.510629D+01  0.981334D+00 -0.774975D+01 -0.455810D+01 -0.320449D+01
      6  -0.611570D+00 -0.165999D+02 -0.731917D+01  0.148111D+02 -0.315733D+01
                86            87            88            89            90 
      1   0.248431D+02  0.582013D+01 -0.211230D+01 -0.273911D+01  0.341798D+01
      2  -0.494335D+02 -0.110293D+02 -0.812045D+00  0.221901D+01 -0.386309D+01
      3   0.245904D+02  0.520915D+01  0.292435D+01  0.520096D+00  0.445111D+00
      4  -0.348224D+02 -0.207775D+01 -0.949689D+01 -0.110722D+01  0.993501D+01
      5  -0.247853D+01 -0.822542D-02 -0.418336D+01  0.144548D+01  0.311389D+01
      6  -0.210774D+02 -0.480329D+01  0.172934D+02 -0.102354D+02 -0.289022D+00
                91            92            93            94            95 
      1   0.816045D+01 -0.182531D+02  0.431005D+00 -0.128823D+02  0.269653D+02
      2  -0.127616D+02  0.386802D+02 -0.640034D+01  0.238067D+02 -0.498527D+02
      3   0.460117D+01 -0.204272D+02  0.596934D+01 -0.109243D+02  0.228874D+02
      4  -0.442071D+00 -0.204153D+02  0.128729D+02 -0.123064D+02  0.331768D+02
      5   0.163982D+01  0.757860D+01 -0.513878D+01  0.295139D+01 -0.284733D+01
      6   0.166052D+02 -0.798073D+01 -0.145373D+02 -0.406306D+01  0.220179D+02
                96            97            98            99           100 
      1  -0.658539D+01 -0.930585D+00  0.189798D+01  0.327264D+01 -0.405688D+01
      2   0.119907D+02 -0.244917D+01 -0.115490D+01 -0.383890D+01  0.109981D+02
      3  -0.540531D+01  0.337975D+01 -0.743086D+00  0.566253D+00 -0.694117D+01
      4  -0.293336D+01  0.887577D+01 -0.238586D+01 -0.990356D+01  0.105964D+02
      5   0.203563D+00 -0.449450D+01 -0.135968D+01  0.363035D+01  0.254714D+01
      6  -0.530018D+01 -0.168901D+02 -0.104804D+02  0.582299D+00 -0.100855D+02
               101           102           103           104           105 
      1   0.438188D+01 -0.363482D+01 -0.794459D+01 -0.335732D+02  0.960254D+01
      2   0.548030D+01  0.296319D+01  0.296357D+01  0.458122D+02 -0.965059D+00
      3  -0.986218D+01  0.671637D+00  0.498102D+01 -0.122390D+02 -0.863748D+01
      4  -0.189718D+01 -0.142168D+02  0.452663D+01 -0.189392D+02  0.427447D+01
      5  -0.105066D+02  0.856052D-02 -0.187177D+01  0.431347D+01 -0.342444D+01
      6   0.496498D+01 -0.358298D+01  0.119972D+01 -0.233140D+02  0.988809D+01
               106           107           108           109           110 
      1  -0.301819D+01 -0.224151D+01 -0.917841D+01  0.124036D+02 -0.100429D+02
      2   0.105779D+01 -0.203234D+01  0.694731D+01 -0.903516D+01 -0.118646D+02
      3   0.196040D+01  0.427385D+01  0.223110D+01 -0.336841D+01  0.219075D+02
      4  -0.702145D+01  0.734072D+01  0.160524D+01 -0.291233D+02  0.184821D+02
      5  -0.239145D+01 -0.185747D+01  0.442156D+01  0.433955D+01  0.264160D+01
      6  -0.683929D+01  0.842001D+01 -0.107794D+01  0.460572D+01  0.724231D+01
               111           112           113           114           115 
      1  -0.258290D+01 -0.453716D+02  0.117264D+02  0.474661D+01 -0.284273D+02
      2   0.127781D+00  0.857417D+01 -0.132637D+02  0.559239D-01  0.520721D+01
      3   0.245512D+01  0.367974D+02  0.153726D+01 -0.480253D+01  0.232201D+02
      4   0.594867D+01  0.220751D+02 -0.150047D+02 -0.781281D-01  0.802762D+01
      5   0.545922D+01 -0.303361D+01 -0.140555D+01 -0.385969D+00  0.128166D+02
      6   0.246809D+01 -0.623552D+00  0.211931D+01  0.549750D+01 -0.192086D+01
               116           117           118           119           120 
      1  -0.358439D+01  0.576222D+01  0.588114D+02  0.124346D+02  0.115976D+02
      2   0.101698D+02  0.716087D+00 -0.344352D+02 -0.121376D+02 -0.156642D+02
      3  -0.658542D+01 -0.647831D+01 -0.243762D+02 -0.296966D+00  0.406659D+01
      4  -0.935855D+01 -0.981988D+01  0.220522D+02  0.111928D+02  0.553427D+01
      5  -0.617106D+01 -0.394036D+01  0.349126D+02  0.648379D+01  0.170397D+02
      6   0.451449D+01  0.220771D+01  0.482622D+01  0.649612D+01  0.516214D+01
               121           122           123           124           125 
      1   0.396911D+02  0.475540D+01 -0.892568D+01  0.262745D+02 -0.884419D+01
      2  -0.100790D+02  0.756119D+01  0.452715D+01 -0.790421D+01  0.821747D+01
      3  -0.296121D+02 -0.123166D+02  0.439853D+01 -0.183703D+02  0.626720D+00
      4   0.294750D+01  0.991465D+01  0.423710D+01 -0.161037D+02  0.118232D+01
      5  -0.725833D+01  0.508452D+01 -0.296965D+00  0.391275D+01  0.136892D+01
      6   0.684912D+01 -0.272589D+00 -0.283261D+00 -0.273206D+01 -0.431366D+00
               126           127           128           129           130 
      1  -0.284432D+01 -0.305825D+01 -0.993038D+01 -0.234762D+02  0.195677D+01
      2  -0.375253D+01 -0.594685D+01  0.104747D+02 -0.108642D+02  0.296269D+01
      3   0.659685D+01  0.900510D+01 -0.544269D+00  0.343403D+02 -0.491946D+01
      4   0.419210D+01 -0.195166D+02 -0.202107D+01 -0.952139D+00  0.346036D+01
      5   0.459291D+01 -0.111454D+01 -0.928559D+00  0.167524D+02  0.183543D+01
      6  -0.612596D+01  0.161294D+01  0.452888D+00 -0.658223D+01  0.196211D+00
               131           132           133           134           135 
      1  -0.228224D+01 -0.260230D+01  0.627096D+01  0.138876D+02 -0.663046D+01
      2   0.722078D+01 -0.326730D+01 -0.219960D+02 -0.891490D+01 -0.264753D+02
      3  -0.493854D+01  0.586959D+01  0.157251D+02 -0.497272D+01  0.331058D+02
      4  -0.174102D+01 -0.104567D+01  0.102104D+02  0.252556D+01 -0.117369D+01
      5  -0.207383D+00 -0.699782D+01  0.245460D+02  0.180021D+00  0.310489D+02
      6  -0.421145D+01 -0.779963D+01  0.405625D+01 -0.371435D+01 -0.168621D+01
               136           137           138           139           140 
      1  -0.267333D+01  0.516473D+01  0.822708D+01  0.631928D+01  0.762821D+01
      2   0.532693D+01  0.133504D+01 -0.703244D+01 -0.658660D+00 -0.159996D+02
      3  -0.265360D+01 -0.649978D+01 -0.119464D+01 -0.566062D+01  0.837142D+01
      4   0.252105D+01  0.966593D+01  0.308557D+01  0.688415D+01 -0.292479D+01
      5   0.624428D+01  0.204028D+01  0.252841D+01  0.807336D+00  0.946312D+00
      6   0.796077D+00 -0.122621D+01 -0.994836D+01  0.487353D+01 -0.356030D+01
               141           142           143           144           145 
      1   0.249373D+02 -0.132632D+01  0.211132D+02 -0.217726D+02 -0.188507D+02
      2   0.734064D+01 -0.403487D+01 -0.103059D+02 -0.120716D+02  0.214580D+01
      3  -0.322779D+02  0.536119D+01 -0.108074D+02  0.338441D+02  0.167049D+02
      4   0.662442D+00  0.587257D+01  0.635415D+01 -0.592491D+01  0.176488D+02
      5  -0.134456D+02  0.788287D+00 -0.634924D+01  0.184232D+02  0.157224D+01
      6   0.147445D+02 -0.354426D+01  0.155863D+02 -0.187820D+02 -0.199005D+00
               146           147           148           149           150 
      1   0.154662D+01  0.106971D+02  0.428029D+01 -0.174988D+02  0.995163D+01
      2   0.162843D+02 -0.627653D+01  0.206885D+02 -0.114865D+02 -0.428033D+01
      3  -0.178309D+02 -0.442053D+01 -0.249688D+02  0.289852D+02 -0.567130D+01
      4  -0.272335D+02  0.742457D+01 -0.482910D+02  0.433355D+02 -0.225101D+01
      5   0.113736D+02  0.487709D+01  0.126686D+02 -0.214634D+01  0.385469D+01
      6  -0.622812D+01 -0.788921D+01 -0.133911D+01  0.765840D+00 -0.620155D+01
               151           152           153           154           155 
      1   0.130223D+02  0.194791D+02  0.142810D+02 -0.543939D+01  0.211352D+02
      2  -0.123851D+02 -0.248907D+01 -0.753404D+01  0.417184D+01 -0.189380D+02
      3  -0.637226D+00 -0.169901D+02 -0.674698D+01  0.126754D+01 -0.219722D+01
      4   0.179078D+02 -0.125872D+02  0.573801D+01  0.284316D+02 -0.311978D+01
      5   0.207787D+01  0.782866D+01  0.422810D+01  0.264955D+02 -0.324697D+02
      6  -0.500707D+01 -0.801690D+01 -0.822465D+01 -0.997684D+01  0.296104D+01
               156           157           158           159           160 
      1   0.168619D+02  0.319010D+02  0.640148D+01 -0.397453D+02  0.156146D+02
      2  -0.833114D+01 -0.258354D+02  0.110295D+01  0.181696D+02 -0.673533D+01
      3  -0.853080D+01 -0.606564D+01 -0.750443D+01  0.215757D+02 -0.887925D+01
      4  -0.317570D+02 -0.300993D+01 -0.221811D+01  0.163417D+02 -0.389196D+02
      5  -0.213561D+02 -0.442675D+02  0.133635D+02  0.939097D-01 -0.218101D+02
      6   0.951850D+01  0.528749D+01 -0.579449D+00 -0.543066D+01  0.109967D+02
               161           162           163           164           165 
      1  -0.360703D+02 -0.136041D+02 -0.497026D+02 -0.308964D+02 -0.355761D+01
      2   0.149009D+02  0.106050D+02  0.212146D+02  0.143810D+02  0.389180D+01
      3   0.211694D+02  0.299905D+01  0.284879D+02  0.165154D+02 -0.334184D+00
      4   0.159532D+02 -0.214936D+01 -0.352194D+02 -0.200255D+02  0.299528D+02
      5  -0.255324D+01  0.161449D+02 -0.270507D+01  0.294279D+02  0.774659D+00
      6  -0.457599D+01 -0.638689D+00  0.658178D+01  0.579409D+00  0.233328D+01
               166           167           168           169           170 
      1  -0.491640D+02 -0.283518D+02  0.422976D+02 -0.284082D+01  0.425904D+02
      2   0.225326D+02  0.141102D+02 -0.217388D+02  0.258618D+01 -0.227241D+02
      3   0.266314D+02  0.142415D+02 -0.205588D+02  0.254638D+00 -0.198663D+02
      4  -0.340465D+02  0.355072D+01 -0.957477D+01  0.461016D+02 -0.715556D+01
      5   0.449408D+02 -0.977068D+01  0.199541D+02 -0.742729D+01  0.196646D+02
      6  -0.214089D+01  0.415040D+01 -0.300079D+01  0.340047D+01 -0.293861D+01
               171           172           173           174           175 
      1  -0.318679D+01 -0.168107D+02  0.636156D+01  0.412476D+01  0.383482D+01
      2   0.160483D+01  0.121061D+02  0.244758D+00 -0.204896D+01 -0.414194D+01
      3   0.158196D+01  0.470460D+01 -0.660632D+01 -0.207580D+01  0.307117D+00
      4   0.187650D+02  0.148272D+01 -0.414998D+01 -0.192400D+02 -0.185989D+02
      5  -0.607487D+01 -0.820165D+01 -0.193446D+02 -0.203473D+02 -0.254460D+02
      6   0.425846D+01 -0.463239D+01 -0.634253D+01 -0.692484D+01 -0.780965D+01
               176           177           178           179           180 
      1  -0.258397D+01 -0.200641D+02  0.871693D+01 -0.180975D+02 -0.108109D+02
      2  -0.496880D+01  0.173022D+02  0.295295D+01  0.193469D+02  0.915065D+01
      3   0.755277D+01  0.276187D+01 -0.116699D+02 -0.124939D+01  0.166021D+01
      4  -0.229444D+02 -0.121314D+00 -0.227269D+02  0.154154D+01 -0.263157D+02
      5  -0.266867D+00 -0.187033D+02 -0.322169D+02 -0.275025D+02 -0.308606D+02
      6  -0.217014D+01 -0.700823D+01 -0.140563D+02 -0.965347D+01 -0.135364D+02
               181           182           183           184           185 
      1  -0.566451D+02  0.944130D+00 -0.629971D+01  0.964422D+00  0.810096D+01
      2   0.378397D+02 -0.871813D+00  0.202691D+02 -0.725592D-01 -0.131336D+02
      3   0.188054D+02 -0.723175D-01 -0.139694D+02 -0.891863D+00  0.503265D+01
      4   0.939256D+00 -0.143639D+02  0.122085D+01 -0.927395D+01 -0.119926D+01
      5  -0.294443D+02  0.121123D-01 -0.293369D+02 -0.115155D+01 -0.825208D+01
      6   0.166887D+00 -0.572457D+01 -0.182658D+01 -0.122913D+02 -0.208173D+00
               186           187           188           189           190 
      1   0.108993D+00 -0.131028D+02 -0.752487D-01  0.164957D+02  0.278676D+02
      2  -0.827977D+00  0.237404D+02  0.263865D+00  0.193833D+02 -0.107311D+02
      3   0.718983D+00 -0.106376D+02 -0.188616D+00 -0.358791D+02 -0.171365D+02
      4  -0.637650D+01  0.165588D+01 -0.119535D+02 -0.770423D+00 -0.227778D+02
      5  -0.294346D+00 -0.187112D+02  0.272945D+00 -0.276615D+02 -0.130120D+02
      6  -0.132572D+02 -0.140335D+01 -0.776998D+01  0.145440D+00  0.103639D+02
               191           192           193           194           195 
      1  -0.319989D+01 -0.266795D+01 -0.210064D+01 -0.443452D+02 -0.151721D+02
      2  -0.396416D+01  0.408789D+01 -0.841889D+01  0.721827D+02  0.130713D+02
      3   0.716405D+01 -0.141994D+01  0.105195D+02 -0.278375D+02  0.210088D+01
      4   0.261481D+02  0.981732D+01  0.242045D+02 -0.258199D+02 -0.935648D+01
      5   0.101086D+02  0.189842D+02  0.355828D+01 -0.106007D+02 -0.616508D+01
      6  -0.299903D+01 -0.574562D+01 -0.711453D+01  0.291814D+02  0.283086D+02
               196           197           198           199           200 
      1  -0.900735D+00 -0.164254D+02 -0.232144D+02  0.296788D+02  0.153238D+01
      2   0.637844D+01  0.612714D+01 -0.403479D+01 -0.145990D+02  0.526606D+01
      3  -0.547771D+01  0.102982D+02  0.272492D+02 -0.150798D+02 -0.679844D+01
      4   0.574498D+01 -0.464296D+01 -0.117887D+02  0.196808D+02  0.227303D+02
      5   0.199426D+02 -0.115490D+02 -0.170836D+02 -0.139224D+02 -0.897393D+01
      6  -0.107051D+02  0.311009D+02  0.316754D+02 -0.100820D+02 -0.314424D+01
               201           202           203           204           205 
      1  -0.283974D+01 -0.187864D+00 -0.372518D+02  0.154379D+02  0.122408D+00
      2   0.520160D+01  0.841830D+01  0.585391D+02 -0.126023D+02  0.671104D+01
      3  -0.236186D+01 -0.823044D+01 -0.212874D+02 -0.283560D+01 -0.683344D+01
      4  -0.982741D+01  0.226521D+02  0.247524D+02 -0.101938D+02 -0.596234D+01
      5   0.216496D+02 -0.326611D+01 -0.116285D+02  0.662330D+01  0.220110D+02
      6   0.651983D+01 -0.772923D+01 -0.294367D+02  0.275608D+02  0.115992D+02
               206           207           208           209           210 
      1   0.182841D+02 -0.245009D+02 -0.697231D+01  0.591142D+01  0.173738D+02
      2  -0.795166D+01 -0.941527D+01 -0.730262D+01  0.851399D+00  0.980129D+01
      3  -0.103324D+02  0.339161D+02  0.142749D+02 -0.676282D+01 -0.271751D+02
      4  -0.627656D+01  0.127058D+02 -0.335589D+01  0.133436D+01  0.287843D+01
      5   0.117735D+02 -0.213454D+02 -0.111865D+02  0.269335D+01  0.104852D+02
      6   0.290286D+02 -0.330226D+02  0.772696D+01 -0.701296D+01 -0.127546D+02
               211           212           213           214           215 
      1   0.294319D+01 -0.350050D+01 -0.102238D+01  0.949997D+01 -0.244831D+01
      2  -0.775162D+00  0.269409D+00  0.241608D+01  0.482185D+01 -0.462120D+00
      3  -0.216803D+01  0.323109D+01 -0.139370D+01 -0.143218D+02  0.291043D+01
      4   0.128965D+01 -0.174219D+01 -0.137234D+01  0.151403D+01 -0.175330D+01
      5   0.235803D+01 -0.268950D+01 -0.339370D+01  0.819070D+01 -0.247245D+01
      6  -0.419490D+01  0.421750D+01  0.533767D+01 -0.519283D+01  0.479278D+01
               216           217           218           219           220 
      1  -0.167664D+02 -0.543007D+00 -0.197989D+01  0.457455D+01  0.688577D+00
      2  -0.114354D+02 -0.316199D+00 -0.448625D+00  0.239596D+01  0.319612D+01
      3   0.282019D+02  0.859206D+00  0.242851D+01 -0.697050D+01 -0.388470D+01
      4  -0.254206D+01 -0.248391D+01  0.184413D+01 -0.193015D+01  0.471482D+01
      5  -0.113169D+02  0.164469D+01 -0.278771D+01  0.207939D+01 -0.784122D+01
      6   0.776579D+01 -0.304960D+01  0.964677D+00  0.287945D+00  0.532028D+01
               221           222           223           224           225 
      1  -0.149875D+02  0.177453D+02  0.462872D+00  0.118179D+02 -0.209929D+02
      2   0.857817D+00  0.541864D+01 -0.106281D+01  0.243527D+01 -0.707986D+01
      3   0.141296D+02 -0.231640D+02  0.599942D+00 -0.142531D+02  0.280728D+02
      4  -0.995658D+01  0.982268D+01 -0.265123D+01  0.428751D+01 -0.601020D+01
      5   0.114200D+02 -0.159820D+02  0.371937D+01 -0.722517D+01  0.112478D+02
      6  -0.216542D+02  0.235328D+02 -0.217733D+01  0.156835D+02 -0.208050D+02
               226           227           228           229           230 
      1  -0.367269D+01 -0.418472D-01 -0.797695D+01 -0.901307D+01 -0.509584D+01
      2  -0.136005D+01 -0.387003D+00  0.194219D+01  0.609124D+01  0.472614D+01
      3   0.503274D+01  0.428850D+00  0.603475D+01  0.292183D+01  0.369704D+00
      4  -0.471755D+01 -0.109250D+01 -0.789987D+00 -0.731407D+00  0.484537D+01
      5  -0.230552D+01  0.165426D+01 -0.877609D+00  0.115044D+01 -0.341906D+01
      6  -0.678917D+00  0.102546D+01 -0.288534D+01 -0.363549D+00 -0.302596D+01
               231           232           233           234           235 
      1   0.102906D+01 -0.179055D+02  0.100113D+01 -0.151044D+02  0.356322D+01
      2  -0.475754D+01  0.848480D+01 -0.883845D+00 -0.985169D+01  0.416113D+01
      3   0.372848D+01  0.942069D+01 -0.117284D+00  0.249561D+02 -0.772435D+01
      4  -0.425156D+01 -0.873177D+01 -0.578914D+01  0.234450D+01  0.105517D+02
      5  -0.296945D+01  0.891248D+01  0.462384D+01 -0.268844D+02 -0.106676D+01
      6   0.198424D+01  0.109264D+01  0.616309D+01 -0.145457D+02 -0.540611D+00
               236           237           238           239           240 
      1   0.476987D+01  0.100704D+00  0.823400D+01 -0.247600D+02  0.902319D+00
      2   0.643338D+00 -0.512763D+00  0.476484D+01  0.523923D+02 -0.409484D+01
      3  -0.541321D+01  0.412060D+00 -0.129988D+02 -0.276323D+02  0.319252D+01
      4   0.121212D+02 -0.809880D+00  0.218613D+02  0.576774D+02 -0.782175D+01
      5  -0.912622D+00 -0.156360D+00 -0.552352D+01 -0.448687D+01  0.487501D+01
      6  -0.114972D+01 -0.776509D-01 -0.402923D+01 -0.120080D+02  0.680352D+01
               241           242           243           244           245 
      1   0.129276D+01  0.547707D+00 -0.521601D+01  0.551377D+02  0.183264D+02
      2  -0.709910D+00  0.145336D+01  0.398027D+01 -0.325488D+02 -0.932598D+01
      3  -0.582854D+00 -0.200107D+01  0.123573D+01 -0.225889D+02 -0.900039D+01
      4   0.222578D+00  0.307264D+00  0.572494D+01  0.304925D+02  0.171987D+02
      5   0.146096D+01  0.603933D+01 -0.207538D+01 -0.431890D+02 -0.126277D+02
      6   0.138274D+01  0.753980D+01 -0.220868D+01 -0.100306D+02 -0.476530D+01
               246           247           248           249           250 
      1  -0.287984D+02  0.181851D+02  0.112147D+02 -0.598406D+01 -0.430202D+02
      2   0.193446D+02 -0.766395D+01 -0.503948D+01  0.280225D+01  0.312827D+02
      3   0.945374D+01 -0.105212D+02 -0.617522D+01  0.318181D+01  0.117374D+02
      4  -0.149812D+02  0.244095D+02  0.152394D+02 -0.161838D+02 -0.251726D+02
      5   0.324452D+02 -0.144420D+02 -0.157105D+02  0.149865D+02  0.563502D+02
      6   0.746484D+01 -0.758582D+01 -0.673869D+01  0.887841D+01  0.141058D+02
               251           252           253           254           255 
      1  -0.977397D+01  0.302339D+02  0.438690D+02  0.180655D+02  0.182953D+02
      2   0.666054D+01 -0.274114D+02 -0.197503D+02 -0.712583D+01 -0.824423D+01
      3   0.311343D+01 -0.282249D+01 -0.241187D+02 -0.109397D+02 -0.100511D+02
      4  -0.196161D+02  0.265384D+02  0.272734D+02  0.167564D+02  0.955200D+01
      5   0.231993D+02 -0.535996D+02  0.206157D+02  0.659969D+01  0.180825D+02
      6   0.100368D+02 -0.147141D+02  0.489493D+01  0.208458D+01  0.452470D+01
               256           257           258           259           260 
      1   0.220125D+02  0.122688D+02  0.481717D+01  0.387840D+02  0.114606D+02
      2  -0.721316D+01 -0.121693D+01  0.792840D+00 -0.169696D+02 -0.215210D+01
      3  -0.147994D+02 -0.110519D+02 -0.561001D+01 -0.218144D+02 -0.930854D+01
      4   0.241575D+02  0.188065D+02  0.136195D+02  0.227237D+02  0.217185D+02
      5   0.779308D+01  0.122568D+02  0.118522D+02  0.328782D+02  0.181455D+02
      6   0.384815D+01  0.510038D+01  0.581872D+01  0.951687D+01  0.626364D+01
               261           262           263           264           265 
      1   0.241408D+02 -0.155221D+02 -0.116711D+02 -0.100687D+02 -0.148487D+02
      2  -0.120088D+02  0.789236D+01  0.553925D+01  0.320691D+01  0.811586D+01
      3  -0.121320D+02  0.762974D+01  0.613189D+01  0.686175D+01  0.673283D+01
      4   0.216710D+02 -0.685023D+01 -0.268232D+01 -0.112539D+00  0.290684D+01
      5   0.312117D+02 -0.481762D+01 -0.505360D+00 -0.867317D+01  0.180329D+01
      6   0.909117D+01  0.397024D+01  0.155156D+01  0.332780D+01  0.171958D+01
               266           267           268           269           270 
      1  -0.502728D+01 -0.297558D+01 -0.137307D+02 -0.719371D+01 -0.163099D+02
      2   0.289462D+01  0.132060D+01  0.566844D+01  0.177511D+01 -0.102702D+01
      3   0.213266D+01  0.165498D+01  0.806231D+01  0.541860D+01  0.173369D+02
      4  -0.592677D+01 -0.743552D+01  0.292396D+00 -0.123038D+02 -0.106791D+02
      5  -0.731904D+01 -0.962563D+01 -0.486591D+00 -0.121832D+02 -0.282798D+02
      6   0.469460D+01  0.683349D+01  0.141544D+01  0.755455D+01  0.105198D+02
               271           272           273           274           275 
      1   0.140839D+03 -0.410219D+02 -0.148864D+02 -0.388542D+02  0.264895D+02
      2  -0.680946D+02  0.175297D+02  0.827004D+01  0.144359D+02 -0.867952D+01
      3  -0.727447D+02  0.234922D+02  0.661634D+01  0.244183D+02 -0.178100D+02
      4  -0.560711D+02  0.309192D+02  0.553954D+01  0.381886D+02 -0.232247D+02
      5  -0.220888D+02  0.594694D+01  0.121038D+02  0.726682D+01 -0.475190D+01
      6   0.702993D+01 -0.375012D+01 -0.268423D+01 -0.448820D+01  0.282304D+01
               276           277           278           279           280 
      1   0.403492D+01 -0.507178D+01  0.124646D+01  0.118375D+02  0.627271D+02
      2  -0.200681D+01  0.367283D+01 -0.154955D+01 -0.679547D+01 -0.409786D+02
      3  -0.202811D+01  0.139895D+01  0.303096D+00 -0.504202D+01 -0.217485D+02
      4  -0.428517D+01  0.301980D+01 -0.146455D+01 -0.895939D+01 -0.170036D+02
      5  -0.658751D+01  0.173438D+02 -0.898565D+01 -0.445271D+01  0.495915D+02
      6   0.291375D+01 -0.381449D+01  0.304113D+01  0.189247D+01 -0.902013D+01
               281           282           283           284           285 
      1  -0.721979D+01  0.269663D+02  0.632386D+01  0.458405D+01 -0.865516D-01
      2   0.424747D+01 -0.202435D+02 -0.640071D+01 -0.114655D+01 -0.281532D+01
      3   0.297232D+01 -0.672287D+01  0.768466D-01 -0.343750D+01  0.290188D+01
      4   0.939345D+01 -0.104010D+02  0.122161D+02 -0.747408D+01  0.820351D+01
      5  -0.947957D+01  0.375502D+02 -0.526061D+00  0.949693D+01  0.253115D+01
      6   0.396592D+01 -0.777073D+01  0.436911D+01 -0.251268D+01  0.423914D+01
               286           287           288           289           290 
      1   0.416673D+02 -0.963116D+01  0.235091D+02 -0.311342D+01 -0.955504D+01
      2  -0.326059D+02  0.618593D+01 -0.273460D+02  0.333080D+01  0.711756D+01
      3  -0.906147D+01  0.344523D+01  0.383687D+01 -0.217385D+00  0.243748D+01
      4  -0.199879D+02  0.101481D+02 -0.119503D+02 -0.536833D+01  0.263175D+00
      5   0.547415D+02 -0.116778D+02  0.528360D+02  0.286786D+01 -0.324599D+00
      6  -0.126007D+02  0.686544D+01 -0.115291D+02 -0.327607D+00 -0.217788D+01
               291           292           293           294           295 
      1   0.282389D+01 -0.129668D+02 -0.164822D+02  0.224264D+01  0.802023D+00
      2  -0.170736D+01  0.552531D+00  0.353254D+02 -0.285294D+01 -0.210998D+01
      3  -0.111653D+01  0.124143D+02 -0.188432D+02  0.610300D+00  0.130796D+01
      4  -0.248735D-01  0.180680D+02 -0.522887D+02  0.639201D+01 -0.198346D+01
      5   0.330733D+01 -0.366440D+01  0.889568D+01 -0.710818D+01  0.961939D+01
      6   0.199567D+00  0.307022D+01 -0.115289D+02  0.654534D+01 -0.201600D+01
               296           297           298           299           300 
      1   0.208568D+00  0.222892D+01 -0.539342D+01 -0.201323D+02 -0.402201D+01
      2   0.147957D+01 -0.592058D-01  0.180283D+02  0.429698D+02  0.624947D+01
      3  -0.168814D+01 -0.216971D+01 -0.126349D+02 -0.228375D+02 -0.222746D+01
      4  -0.660134D+00 -0.587298D+01  0.223805D+02  0.321791D+02  0.768839D+01
      5  -0.630202D+01  0.246955D+01  0.487732D+01  0.535710D+01  0.460488D+01
      6   0.548528D+01 -0.206617D+01  0.964730D+01  0.143515D+02  0.589284D+01
               301           302           303           304           305 
      1  -0.113992D+02 -0.432738D+02 -0.790702D+01 -0.142017D+01 -0.513353D+01
      2   0.243262D+02  0.818336D+02  0.129506D+02  0.199987D+01  0.522472D+01
      3  -0.129271D+02 -0.385599D+02 -0.504359D+01 -0.579701D+00 -0.911897D-01
      4   0.199888D+02  0.371680D+02  0.632020D+01  0.411918D+01  0.470000D+01
      5   0.321989D+01  0.558193D+01  0.226607D+01  0.418568D+01  0.365449D+01
      6   0.781900D+01  0.245388D+02  0.117097D+02  0.420885D+01  0.163544D+02
               306           307           308           309           310 
      1  -0.703781D+01 -0.134861D+01  0.678514D+01  0.452368D+01  0.282794D+01
      2   0.975076D+01  0.344775D+01 -0.776903D+01 -0.289079D+01 -0.370336D+01
      3  -0.271295D+01 -0.209915D+01  0.983889D+00 -0.163289D+01  0.875425D+00
      4   0.551833D+01 -0.153674D+02  0.112116D+02  0.937672D+01  0.688571D+01
      5   0.274821D+01 -0.777103D+01  0.469699D+01  0.577457D+01  0.182710D+01
      6   0.670144D+01  0.137334D+02 -0.101305D+02 -0.149992D+02 -0.502624D+01
               311           312           313           314           315 
      1  -0.834265D+01 -0.623413D+01  0.454322D+01 -0.108325D+02 -0.103784D+02
      2   0.121557D+02  0.861557D+01 -0.181666D+01  0.110143D+02  0.317110D+01
      3  -0.381309D+01 -0.238144D+01 -0.272657D+01 -0.181732D+00  0.720735D+01
      4  -0.506504D+01 -0.314296D+01  0.923646D+01 -0.510101D+01 -0.885343D+01
      5  -0.251241D+01 -0.197210D+01  0.602824D+01 -0.329958D+01 -0.593227D+01
      6   0.122832D+02  0.945382D+01 -0.126943D+02  0.159109D+02  0.214662D+02
               316           317           318           319           320 
      1   0.726486D+00 -0.659858D+01  0.442555D+01 -0.368028D+01 -0.718126D+01
      2   0.141581D+01  0.711017D+01 -0.228597D+01  0.408571D+01  0.104968D+02
      3  -0.214229D+01 -0.511592D+00 -0.213958D+01 -0.405428D+00 -0.331557D+01
      4   0.160748D+02  0.107586D+02 -0.998524D+01  0.576867D+01  0.476488D+01
      5  -0.875617D+01 -0.491949D+01  0.666796D+01 -0.143494D+01 -0.258597D+01
      6  -0.139123D+02 -0.100979D+02  0.155951D+02 -0.472337D+01 -0.114278D+02
               321           322           323           324           325 
      1   0.584572D+01  0.477049D+01  0.100676D+02 -0.101515D+02 -0.563998D+01
      2  -0.816074D+01 -0.180467D+01 -0.989252D+01  0.241993D+01  0.169979D+02
      3   0.231503D+01 -0.296582D+01 -0.175052D+00  0.773158D+01 -0.113580D+02
      4  -0.300128D+01 -0.903573D+01 -0.526180D+01  0.916308D+01 -0.208127D+02
      5   0.189214D+01  0.633545D+01  0.366996D+01 -0.679376D+01  0.488781D+01
      6   0.883017D+01  0.126301D+02  0.154370D+02 -0.214352D+02 -0.964815D+01
               326           327           328           329           330 
      1   0.209854D+02 -0.442722D+01  0.113772D+02 -0.446997D+02  0.866212D+01
      2  -0.425739D+02  0.667931D+01 -0.229437D+02  0.821464D+02 -0.138488D+02
      3   0.215886D+02 -0.225209D+01  0.115666D+02 -0.374467D+02  0.518671D+01
      4   0.306142D+02 -0.778722D+01  0.182945D+02 -0.349166D+02  0.643888D+01
      5  -0.550349D+01  0.468236D+01 -0.328186D+01  0.561555D+01 -0.220351D+01
      6   0.150170D+02 -0.621024D+01  0.796128D+01 -0.261123D+02  0.123055D+02
               331           332           333           334           335 
      1  -0.173270D+01  0.624847D+01 -0.761927D+01 -0.592795D+01 -0.519977D+01
      2   0.237863D+01 -0.651208D+01  0.101093D+02 -0.780694D+01 -0.566993D+00
      3  -0.645936D+00  0.263610D+00 -0.249000D+01  0.137349D+02  0.576677D+01
      4  -0.405832D+01  0.515652D+01 -0.534445D+01  0.413553D+01  0.183542D+01
      5   0.407253D+01 -0.358214D+01  0.273681D+01 -0.129038D+02 -0.298531D+01
      6  -0.417453D+01  0.169288D+02 -0.744723D+01 -0.757548D+01 -0.660965D+01
               336           337           338           339           340 
      1   0.161498D+02 -0.232062D+01 -0.268479D+01  0.166110D+00  0.912531D+01
      2   0.992864D+01  0.951575D+00 -0.198418D+00 -0.253917D+01  0.520332D+01
      3  -0.260784D+02  0.136904D+01  0.288321D+01  0.237306D+01 -0.143286D+02
      4  -0.302095D+01  0.191043D+01  0.189973D+01 -0.149924D+01 -0.182902D+01
      5   0.116393D+02 -0.217599D+01 -0.294268D+01  0.282638D+01  0.892318D+01
      6   0.115018D+02 -0.420239D+01 -0.366781D+01  0.480818D+01  0.489817D+01
               341           342           343           344           345 
      1   0.173179D+01 -0.149140D+02 -0.121985D+01  0.201470D+01  0.464111D+01
      2   0.505417D+00 -0.109542D+02 -0.259187D+00  0.651008D+00  0.245628D+01
      3  -0.223721D+01  0.258681D+02  0.147904D+01 -0.266571D+01 -0.709739D+01
      4  -0.169137D+01  0.265358D+01  0.267621D+01  0.198503D+01  0.235246D+01
      5   0.247233D+01 -0.117814D+02  0.188568D+01  0.331531D+01  0.275529D+01
      6   0.424940D+01 -0.652931D+01  0.380744D+01  0.885637D+00 -0.431567D+00
               346           347           348           349           350 
      1  -0.340907D+00 -0.155209D+02 -0.184849D+02  0.419719D+00 -0.121435D+02
      2  -0.317618D+01  0.110537D+01 -0.520041D+01 -0.771693D+00 -0.191661D+01
      3   0.351709D+01  0.144155D+02  0.236853D+02  0.351973D+00  0.140601D+02
      4   0.418539D+01  0.928675D+01  0.903902D+01  0.293041D+01  0.387073D+01
      5   0.741570D+01  0.103866D+02  0.149045D+02  0.348924D+01  0.680335D+01
      6   0.461487D+01  0.216943D+02  0.234861D+02  0.214202D+01  0.157997D+02
               351           352           353           354           355 
      1  -0.207668D+02  0.260594D+02 -0.121316D+02 -0.295568D+00 -0.146851D+02
      2  -0.632045D+01 -0.251600D+00 -0.761198D+01  0.158494D+01 -0.134031D+02
      3   0.270873D+02 -0.258078D+02  0.197436D+02 -0.128937D+01  0.280883D+02
      4   0.560331D+01 -0.349440D+02  0.334168D+02 -0.337166D+01  0.473393D+02
      5   0.979214D+01  0.847413D+00 -0.415377D+01  0.428640D+01 -0.188729D-01
      6   0.204756D+02 -0.189955D+01  0.724208D+00 -0.105222D+01 -0.237573D+00
               356           357           358           359           360 
      1   0.296451D+01  0.188840D+01  0.757694D+01 -0.298167D+01 -0.265273D+01
      2   0.330479D+02 -0.340453D+01  0.170712D+01 -0.824454D+01  0.418062D+01
      3  -0.360124D+02  0.151613D+01 -0.928405D+01  0.112262D+02 -0.152789D+01
      4  -0.631774D+02  0.256933D+01 -0.158478D+02  0.180456D+02 -0.908707D+01
      5   0.480647D+01 -0.700058D+01  0.566016D+01 -0.932724D+01  0.542148D+01
      6  -0.120025D+01  0.614502D+01 -0.334062D+01  0.853073D+01 -0.306902D+01
               361           362           363           364           365 
      1  -0.134814D+02 -0.710067D+01 -0.862399D+01 -0.537804D+01 -0.786838D+01
      2   0.811181D+01  0.359535D+01  0.450672D+01  0.555651D+00  0.977684D+01
      3   0.536955D+01  0.350532D+01  0.411726D+01  0.482239D+01 -0.190846D+01
      4   0.177253D+01  0.240923D+01 -0.962849D+00  0.790283D+01 -0.111438D+02
      5  -0.105464D+01 -0.262854D+01 -0.175216D+01 -0.260560D-01 -0.528943D+01
      6   0.341755D+01  0.407227D+01  0.518122D+01  0.146367D+01  0.839380D+01
               366           367           368           369           370 
      1  -0.809526D+01 -0.137136D+02 -0.137046D+02 -0.167277D+02  0.703510D+02
      2   0.595134D+01  0.834430D+01  0.690041D+01  0.260812D+01 -0.408013D+02
      3   0.214392D+01  0.536927D+01  0.680419D+01  0.141195D+02 -0.295497D+02
      4  -0.525682D+01  0.910923D+00 -0.555280D+01 -0.804682D+01 -0.357737D+02
      5  -0.472877D+01  0.407181D+01 -0.943714D+01 -0.168025D+02 -0.505883D+02
      6   0.860034D+01  0.141134D+01  0.126982D+02  0.179333D+02  0.116727D+02
               371           372           373           374           375 
      1  -0.202833D+02 -0.303726D+02 -0.261787D+02  0.126138D+02  0.134629D+02
      2   0.110524D+02  0.210582D+02  0.138306D+02 -0.510219D+01 -0.848033D+01
      3   0.923088D+01  0.931438D+01  0.123481D+02 -0.751160D+01 -0.498253D+01
      4   0.197969D+02  0.205248D+02  0.283774D+02 -0.240738D+02 -0.197399D+02
      5   0.194563D+02  0.355427D+02  0.260323D+02 -0.193041D+02 -0.187351D+02
      6  -0.629840D+01 -0.784628D+01 -0.101930D+02  0.895387D+01  0.992292D+01
               376           377           378           379           380 
      1  -0.265331D+02  0.984823D+01  0.213039D+02 -0.163165D+02  0.562101D+01
      2   0.215388D+02 -0.733767D+01 -0.204878D+02  0.659372D+01 -0.252655D+00
      3   0.499433D+01 -0.251055D+01 -0.816061D+00  0.972282D+01 -0.536836D+01
      4   0.204115D+02 -0.134428D+02 -0.180943D+02  0.511378D+01 -0.368529D+01
      5   0.424418D+02 -0.164590D+02 -0.401601D+02 -0.475373D+01  0.282266D+01
      6  -0.103091D+02  0.791927D+01  0.102158D+02 -0.277646D+01  0.118705D+01
               381           382           383           384           385 
      1  -0.878225D+01  0.128957D+02 -0.914676D+01  0.106818D+02 -0.111139D+02
      2   0.181400D+01 -0.608753D+01  0.239746D+01 -0.377486D+00  0.505720D+01
      3   0.696825D+01 -0.680819D+01  0.674930D+01 -0.103044D+02  0.605671D+01
      4   0.382964D+01 -0.154066D+01  0.150447D+02 -0.105569D+02  0.350993D+01
      5  -0.324582D+00  0.254674D+01 -0.920065D+01  0.145750D+02  0.593628D+01
      6  -0.107617D+01  0.119340D+01 -0.748465D+01  0.604663D+01 -0.166716D+01
               386           387           388           389           390 
      1   0.872788D+01 -0.944794D+01  0.119649D+03  0.385077D+02 -0.132326D+02
      2   0.272257D+00 -0.699098D+01 -0.568253D+02 -0.165866D+02  0.659970D+01
      3  -0.900014D+01  0.164389D+02 -0.628240D+02 -0.219211D+02  0.663289D+01
      4  -0.903944D+01  0.891944D+01  0.469635D+02  0.266142D+02 -0.789001D+01
      5   0.889119D+01 -0.242511D+02 -0.150857D+02 -0.716879D+01  0.126537D+02
      6   0.609779D+01 -0.530378D+01 -0.462618D+01 -0.163421D+01  0.168329D+01
               391           392           393           394           395 
      1   0.583575D+02  0.320848D+02 -0.973696D+01 -0.295794D+02 -0.129984D+02
      2  -0.243705D+02 -0.111708D+02  0.433948D+01  0.145066D+02  0.621887D+01
      3  -0.339870D+02 -0.209140D+02  0.539748D+01  0.150728D+02  0.677952D+01
      4   0.438172D+02  0.320778D+02 -0.437109D+01 -0.161537D+02 -0.708816D+01
      5  -0.114782D+02 -0.400531D+01  0.628942D+01  0.226041D+02  0.672597D+01
      6  -0.288873D+01 -0.262828D+01  0.301129D+01  0.406518D+01  0.352328D+01
               396           397           398           399           400 
      1   0.162525D+02  0.478009D+02 -0.125908D+02  0.181632D+02 -0.300968D+02
      2  -0.885110D+01 -0.250757D+02  0.624862D+01 -0.106540D+02  0.146731D+02
      3  -0.740140D+01 -0.227252D+02  0.634215D+01 -0.750924D+01  0.154237D+02
      4   0.693545D+01 -0.166451D+02  0.141067D+02 -0.103187D+02  0.299452D+02
      5  -0.105408D+02  0.230584D+02 -0.106160D+02  0.146932D+02 -0.225786D+02
      6  -0.235566D+01 -0.478118D+01  0.237456D+01 -0.266371D+01  0.571023D+01
               401           402           403           404           405 
      1   0.198776D+02 -0.163879D+02  0.332565D+02 -0.137623D+02  0.175860D+02
      2  -0.819671D+01  0.861007D+01 -0.205240D+02  0.873551D+01 -0.140661D+02
      3  -0.116809D+02  0.777786D+01 -0.127325D+02  0.502679D+01 -0.351994D+01
      4  -0.291377D+02  0.163542D+02 -0.187052D+02  0.148763D+02 -0.168845D+02
      5   0.166546D+02 -0.211338D+02  0.290822D+02 -0.168531D+02  0.333126D+02
      6  -0.647781D+01  0.615236D+01 -0.549111D+01  0.565569D+01 -0.619526D+01
               406           407           408           409           410 
      1  -0.228598D+01  0.498554D+01 -0.449858D+01  0.151777D+02 -0.688323D+01
      2   0.342519D+01 -0.307239D+01  0.308996D+01 -0.320239D+01  0.217102D+02
      3  -0.113921D+01 -0.191316D+01  0.140862D+01 -0.119753D+02 -0.148270D+02
      4   0.446707D+01  0.353184D+01 -0.556046D+00  0.173524D+02  0.364340D+02
      5  -0.503454D+01  0.683854D+00  0.214780D+01  0.471761D+01 -0.368485D+01
      6  -0.292113D+01 -0.111266D+01  0.975568D+00  0.216304D+01  0.142140D+00
               411           412           413           414           415 
      1   0.525650D+01 -0.197821D+02  0.425168D+01 -0.112558D+01  0.239801D+02
      2  -0.628334D+01  0.795708D+01 -0.903065D+01  0.327700D+01 -0.169015D+02
      3   0.102685D+01  0.118250D+02  0.477897D+01 -0.215142D+01 -0.707861D+01
      4  -0.418790D+01 -0.206085D+01 -0.122546D+02  0.912315D+01  0.169488D+02
      5   0.767784D+01  0.424289D+01  0.954007D+01 -0.400554D+01  0.280474D+02
      6   0.500636D+01  0.175997D+01  0.422201D+01 -0.138874D+01  0.919881D+01
               416           417           418           419           420 
      1   0.667287D+01  0.133371D+02  0.660137D+01  0.299402D+01  0.297783D+01
      2  -0.382259D+01 -0.974286D+01 -0.203798D+01  0.250690D+00 -0.181421D+01
      3  -0.285028D+01 -0.359420D+01 -0.456338D+01 -0.324471D+01 -0.116362D+01
      4   0.129616D+02  0.146781D+02  0.197597D+02  0.220948D+02  0.172997D+02
      5   0.146058D+02  0.244051D+02  0.163465D+02  0.184052D+02  0.174663D+02
      6   0.581919D+01  0.741075D+01  0.956861D+01  0.112305D+02  0.127900D+02
               421           422           423 
      1   0.216797D+02  0.512118D+01  0.494412D+01
      2  -0.182521D+02 -0.655083D+01 -0.165715D+02
      3  -0.342767D+01  0.142966D+01  0.116274D+02
      4   0.248208D+02  0.205817D+02  0.281400D+02
      5   0.406337D+02  0.290947D+02  0.549309D+02
      6   0.158488D+02  0.162502D+02  0.220505D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 20:40:10 2021, MaxMem= 10737418240 cpu:          197719.3 elap:           12388.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -102.06351-102.06287 -10.46454 -10.46388 -10.46025
 Alpha  occ. eigenvalues --  -10.45997 -10.45885 -10.45767 -10.45723 -10.45676
 Alpha  occ. eigenvalues --  -10.45510 -10.45444 -10.45205 -10.45029 -10.44933
 Alpha  occ. eigenvalues --  -10.44903 -10.44054 -10.43931 -10.43619 -10.43566
 Alpha  occ. eigenvalues --  -10.43506 -10.43249  -9.58475  -9.58413  -7.38352
 Alpha  occ. eigenvalues --   -7.38292  -7.38147  -7.38086  -7.38076  -7.38014
 Alpha  occ. eigenvalues --   -2.31343  -1.42433  -1.42329  -1.42264  -1.04649
 Alpha  occ. eigenvalues --   -1.03345  -0.96308  -0.95593  -0.94504  -0.90189
 Alpha  occ. eigenvalues --   -0.89072  -0.88655  -0.88493  -0.85796  -0.84992
 Alpha  occ. eigenvalues --   -0.83932  -0.80784  -0.77022  -0.76070  -0.74773
 Alpha  occ. eigenvalues --   -0.71081  -0.70959  -0.67853  -0.67648  -0.63854
 Alpha  occ. eigenvalues --   -0.63416  -0.62978  -0.60337  -0.58556  -0.58048
 Alpha  occ. eigenvalues --   -0.57786  -0.56528  -0.56255  -0.56066  -0.55339
 Alpha  occ. eigenvalues --   -0.55264  -0.52801  -0.52563  -0.51405  -0.50784
 Alpha  occ. eigenvalues --   -0.50631  -0.49681  -0.49556  -0.48841  -0.48211
 Alpha  occ. eigenvalues --   -0.47539  -0.47049  -0.46755  -0.46516  -0.44568
 Alpha  occ. eigenvalues --   -0.44234  -0.43659  -0.43465  -0.42937  -0.42689
 Alpha  occ. eigenvalues --   -0.42254  -0.41910  -0.41544  -0.40857  -0.40235
 Alpha  occ. eigenvalues --   -0.39224  -0.34929  -0.33970  -0.33353  -0.32363
 Alpha virt. eigenvalues --    0.00796   0.02167   0.02379   0.03448   0.03806
 Alpha virt. eigenvalues --    0.05070   0.05654   0.06170   0.06353   0.06546
 Alpha virt. eigenvalues --    0.06747   0.07009   0.07215   0.07683   0.08883
 Alpha virt. eigenvalues --    0.09017   0.09225   0.09845   0.09997   0.10846
 Alpha virt. eigenvalues --    0.10971   0.11311   0.12074   0.12421   0.12824
 Alpha virt. eigenvalues --    0.13020   0.13555   0.13760   0.14017   0.14560
 Alpha virt. eigenvalues --    0.14766   0.15206   0.15596   0.16069   0.16135
 Alpha virt. eigenvalues --    0.16649   0.17220   0.17511   0.17835   0.18368
 Alpha virt. eigenvalues --    0.18863   0.19092   0.19605   0.20015   0.20247
 Alpha virt. eigenvalues --    0.20436   0.20848   0.21149   0.21762   0.22334
 Alpha virt. eigenvalues --    0.22594   0.22707   0.23245   0.23366   0.23840
 Alpha virt. eigenvalues --    0.24247   0.24624   0.25105   0.25344   0.25595
 Alpha virt. eigenvalues --    0.26127   0.26633   0.26859   0.26944   0.27519
 Alpha virt. eigenvalues --    0.27690   0.28060   0.28420   0.28746   0.29114
 Alpha virt. eigenvalues --    0.29158   0.29528   0.29742   0.30255   0.30493
 Alpha virt. eigenvalues --    0.30985   0.31033   0.31379   0.31460   0.31781
 Alpha virt. eigenvalues --    0.32231   0.32309   0.32530   0.33084   0.33572
 Alpha virt. eigenvalues --    0.33901   0.34176   0.34285   0.35010   0.35074
 Alpha virt. eigenvalues --    0.35481   0.35779   0.35992   0.36265   0.36511
 Alpha virt. eigenvalues --    0.36820   0.37181   0.37294   0.37449   0.37593
 Alpha virt. eigenvalues --    0.37663   0.37941   0.38344   0.38489   0.38648
 Alpha virt. eigenvalues --    0.38885   0.38909   0.39643   0.39959   0.40169
 Alpha virt. eigenvalues --    0.40246   0.40461   0.40816   0.41072   0.41210
 Alpha virt. eigenvalues --    0.41490   0.41747   0.41893   0.42091   0.42155
 Alpha virt. eigenvalues --    0.42598   0.42858   0.42997   0.43330   0.43578
 Alpha virt. eigenvalues --    0.43811   0.44108   0.44352   0.44474   0.44901
 Alpha virt. eigenvalues --    0.45070   0.45170   0.45577   0.45930   0.46033
 Alpha virt. eigenvalues --    0.46311   0.46648   0.46853   0.47220   0.47409
 Alpha virt. eigenvalues --    0.48064   0.48297   0.48396   0.48486   0.48733
 Alpha virt. eigenvalues --    0.48938   0.49456   0.49778   0.49797   0.50264
 Alpha virt. eigenvalues --    0.50676   0.51072   0.51253   0.51456   0.51578
 Alpha virt. eigenvalues --    0.51953   0.51996   0.52189   0.52643   0.52879
 Alpha virt. eigenvalues --    0.52922   0.53223   0.53378   0.53492   0.53698
 Alpha virt. eigenvalues --    0.54199   0.54490   0.54847   0.55052   0.55237
 Alpha virt. eigenvalues --    0.55652   0.55939   0.56070   0.56447   0.56787
 Alpha virt. eigenvalues --    0.57216   0.57444   0.57526   0.57867   0.58202
 Alpha virt. eigenvalues --    0.58494   0.58834   0.59121   0.59389   0.59750
 Alpha virt. eigenvalues --    0.60158   0.60279   0.60630   0.60839   0.61029
 Alpha virt. eigenvalues --    0.61086   0.61250   0.61895   0.62041   0.62517
 Alpha virt. eigenvalues --    0.62955   0.63354   0.63582   0.63677   0.63908
 Alpha virt. eigenvalues --    0.64269   0.64688   0.65081   0.65631   0.65994
 Alpha virt. eigenvalues --    0.66017   0.66694   0.67017   0.67395   0.67468
 Alpha virt. eigenvalues --    0.67941   0.68088   0.68818   0.69093   0.69742
 Alpha virt. eigenvalues --    0.70111   0.70895   0.70989   0.71180   0.71395
 Alpha virt. eigenvalues --    0.71591   0.72157   0.72225   0.72800   0.73276
 Alpha virt. eigenvalues --    0.73470   0.73772   0.74568   0.74621   0.74938
 Alpha virt. eigenvalues --    0.75462   0.76096   0.76443   0.76622   0.76996
 Alpha virt. eigenvalues --    0.77371   0.77743   0.78274   0.78591   0.79183
 Alpha virt. eigenvalues --    0.79244   0.79832   0.80808   0.80974   0.81787
 Alpha virt. eigenvalues --    0.82131   0.82563   0.82740   0.82932   0.83333
 Alpha virt. eigenvalues --    0.84022   0.84258   0.84715   0.85031   0.85498
 Alpha virt. eigenvalues --    0.85563   0.86224   0.87049   0.87335   0.88148
 Alpha virt. eigenvalues --    0.88594   0.88888   0.89402   0.89872   0.90663
 Alpha virt. eigenvalues --    0.91485   0.92004   0.92500   0.92806   0.93535
 Alpha virt. eigenvalues --    0.94388   0.94752   0.95482   0.95763   0.96302
 Alpha virt. eigenvalues --    0.96977   0.97924   0.98475   0.99162   0.99710
 Alpha virt. eigenvalues --    1.00221   1.01273   1.01386   1.02648   1.02982
 Alpha virt. eigenvalues --    1.04367   1.05042   1.05420   1.05978   1.06345
 Alpha virt. eigenvalues --    1.06885   1.07186   1.07454   1.07541   1.08308
 Alpha virt. eigenvalues --    1.08762   1.09406   1.09865   1.10189   1.10503
 Alpha virt. eigenvalues --    1.11253   1.11578   1.11906   1.12725   1.12871
 Alpha virt. eigenvalues --    1.13232   1.13632   1.14329   1.14602   1.15026
 Alpha virt. eigenvalues --    1.15529   1.15950   1.16475   1.16831   1.17107
 Alpha virt. eigenvalues --    1.17395   1.18124   1.18583   1.18888   1.19512
 Alpha virt. eigenvalues --    1.19934   1.20439   1.21009   1.21082   1.21090
 Alpha virt. eigenvalues --    1.21854   1.21974   1.22572   1.23317   1.23626
 Alpha virt. eigenvalues --    1.24432   1.24628   1.25161   1.25460   1.26093
 Alpha virt. eigenvalues --    1.26366   1.27473   1.27622   1.28550   1.28811
 Alpha virt. eigenvalues --    1.29301   1.29585   1.30502   1.30891   1.31021
 Alpha virt. eigenvalues --    1.31345   1.32030   1.32237   1.32973   1.33382
 Alpha virt. eigenvalues --    1.33699   1.34439   1.35028   1.35532   1.36502
 Alpha virt. eigenvalues --    1.37395   1.37881   1.38480   1.39373   1.39457
 Alpha virt. eigenvalues --    1.40275   1.41873   1.42427   1.42658   1.43276
 Alpha virt. eigenvalues --    1.44468   1.45037   1.45838   1.46673   1.47376
 Alpha virt. eigenvalues --    1.48209   1.48687   1.50420   1.50607   1.51057
 Alpha virt. eigenvalues --    1.51682   1.52403   1.53381   1.54371   1.54415
 Alpha virt. eigenvalues --    1.56202   1.57129   1.57645   1.58231   1.59593
 Alpha virt. eigenvalues --    1.60597   1.61220   1.62896   1.63263   1.64065
 Alpha virt. eigenvalues --    1.64568   1.65763   1.67775   1.67960   1.68727
 Alpha virt. eigenvalues --    1.69857   1.71868   1.72641   1.73329   1.73544
 Alpha virt. eigenvalues --    1.74165   1.76207   1.77743   1.78765   1.79043
 Alpha virt. eigenvalues --    1.79377   1.80370   1.81431   1.82089   1.82710
 Alpha virt. eigenvalues --    1.83438   1.84609   1.85237   1.85770   1.86317
 Alpha virt. eigenvalues --    1.87509   1.88183   1.88630   1.90939   1.91310
 Alpha virt. eigenvalues --    1.91933   1.92592   1.93106   1.93488   1.94264
 Alpha virt. eigenvalues --    1.95371   1.95618   1.96454   1.96649   1.97868
 Alpha virt. eigenvalues --    1.98345   1.99121   1.99253   2.00791   2.01324
 Alpha virt. eigenvalues --    2.01574   2.02444   2.02795   2.03401   2.03535
 Alpha virt. eigenvalues --    2.04563   2.04834   2.05230   2.05989   2.07135
 Alpha virt. eigenvalues --    2.07397   2.07477   2.08559   2.09217   2.09502
 Alpha virt. eigenvalues --    2.11249   2.12034   2.12448   2.12806   2.13587
 Alpha virt. eigenvalues --    2.14236   2.14792   2.15094   2.15335   2.16040
 Alpha virt. eigenvalues --    2.17233   2.17723   2.19188   2.19542   2.19751
 Alpha virt. eigenvalues --    2.20202   2.20973   2.21568   2.22117   2.22363
 Alpha virt. eigenvalues --    2.22922   2.23224   2.24243   2.24610   2.25764
 Alpha virt. eigenvalues --    2.26610   2.27217   2.27560   2.29083   2.29446
 Alpha virt. eigenvalues --    2.30197   2.32020   2.32443   2.32994   2.33119
 Alpha virt. eigenvalues --    2.33845   2.34170   2.35342   2.36325   2.37374
 Alpha virt. eigenvalues --    2.38378   2.38777   2.39889   2.40431   2.43156
 Alpha virt. eigenvalues --    2.44154   2.44267   2.44909   2.45859   2.46044
 Alpha virt. eigenvalues --    2.47517   2.47850   2.49086   2.50282   2.51413
 Alpha virt. eigenvalues --    2.51821   2.52820   2.53178   2.53468   2.54116
 Alpha virt. eigenvalues --    2.55162   2.55397   2.56417   2.57307   2.58029
 Alpha virt. eigenvalues --    2.58421   2.58805   2.59499   2.61097   2.61906
 Alpha virt. eigenvalues --    2.63083   2.63446   2.63819   2.65121   2.66319
 Alpha virt. eigenvalues --    2.67174   2.67613   2.68978   2.69601   2.70879
 Alpha virt. eigenvalues --    2.72024   2.72713   2.73277   2.74517   2.76178
 Alpha virt. eigenvalues --    2.78185   2.78973   2.80485   2.81195   2.82737
 Alpha virt. eigenvalues --    2.82950   2.83628   2.84426   2.85294   2.86741
 Alpha virt. eigenvalues --    2.89169   2.90621   2.94939   2.96888   2.99489
 Alpha virt. eigenvalues --    2.99863   3.00501   3.02504   3.02930   3.04709
 Alpha virt. eigenvalues --    3.06532   3.07874   3.09376   3.10995   3.12550
 Alpha virt. eigenvalues --    3.14318   3.15214   3.16416   3.18351   3.20214
 Alpha virt. eigenvalues --    3.20923   3.21461   3.22096   3.26797   3.27453
 Alpha virt. eigenvalues --    3.29229   3.29336   3.30682   3.31406   3.32532
 Alpha virt. eigenvalues --    3.33135   3.33331   3.34734   3.37307   3.38343
 Alpha virt. eigenvalues --    3.42887   3.43310   3.57503   3.57943  33.89742
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.574641  -2.366203  -0.370418  -0.043473   0.085205   0.223683
     2  C   -2.366203  15.493032  -2.901607  -0.187081  -0.261567  -0.037115
     3  C   -0.370418  -2.901607  14.949766  -1.401099   0.209596  -0.352846
     4  C   -0.043473  -0.187081  -1.401099   7.508669   0.234768  -0.051376
     5  C    0.085205  -0.261567   0.209596   0.234768   4.599773   0.230224
     6  C    0.223683  -0.037115  -0.352846  -0.051376   0.230224   5.225932
     7  C   -0.112034   0.791848  -2.557390  -0.567056   0.001119   0.024616
     8  C    0.007675   0.027900  -0.341281  -0.052056   0.013010   0.047519
     9  C   -0.220999  -3.505350  -0.460806   0.105032   0.018966   0.149239
    10  C   -0.177865  -0.089408   0.178161  -0.003754   0.000978   0.000264
    11  C   -0.006152  -0.078298  -0.043433  -0.001448  -0.000171   0.006910
    12  C    0.037374  -0.037615   0.075667  -0.005688  -0.000519  -0.003378
    13  C   -0.003821   0.039351  -0.059206   0.001487   0.000466  -0.001002
    14  C    0.000594  -0.028188  -0.009644  -0.000465  -0.000058   0.000768
    15  C    0.014211  -0.036366  -0.000184  -0.002365   0.000259  -0.000012
    16  C    0.035033  -0.014616   0.046743  -0.002310   0.001903  -0.000299
    17  C    0.001415  -0.017312   0.007909  -0.000037  -0.000004   0.000076
    18  C   -0.000051   0.002261  -0.000615   0.000020   0.000002  -0.000004
    19  C    0.000003  -0.000072   0.000080   0.000004  -0.000001   0.000001
    20  C    0.000207   0.000046   0.000028  -0.000042   0.000025  -0.000019
    21  Zr  -0.056894  -0.242161  -0.152489  -0.015056  -0.003954  -0.000681
    22  Cl  -0.013919   0.048545  -0.021399   0.008519  -0.021686   0.004634
    23  Cl   0.001397  -0.013636  -0.017139   0.002994  -0.000248   0.000622
    24  H   -0.000949   0.202469  -0.204234   0.009647  -0.000105  -0.004319
    25  H   -0.004323  -0.221312  -0.056318  -0.184845   0.001678   0.008739
    26  H   -0.572050   0.483227   0.042530   0.021499   0.009267  -0.272255
    27  H   -0.059508   0.316468   0.192490   0.012294   0.007224  -0.380020
    28  H    0.232604  -0.118922   0.054832   0.023487   0.007307   0.303173
    29  H   -0.083776   0.092409  -0.044236  -0.017746   0.029749   0.186165
    30  H   -0.059664  -0.072800  -0.042518   0.127852   0.199541   0.054376
    31  H    0.022176   0.075156  -0.012084  -0.007150   0.283919  -0.002238
    32  H    0.009927   0.022425   0.239192  -0.297762  -0.027510  -0.025389
    33  H    0.008199   0.053295   0.183767   0.098213   0.022579   0.002378
    34  H   -0.072506  -0.012132  -0.047557   0.001879  -0.000229  -0.000027
    35  H    0.036866   0.148053   0.050326  -0.001108   0.000047  -0.000197
    36  H    0.033856  -0.119919  -0.020932  -0.000601   0.000062   0.007357
    37  H   -0.006638   0.035720  -0.003746  -0.000025   0.000011   0.000064
    38  H   -0.104974   0.121822  -0.015091   0.007203  -0.000785  -0.004847
    39  H    0.000743   0.001046   0.001234  -0.000768   0.000043   0.000061
    40  H   -0.000097  -0.000337   0.000290  -0.000004   0.000001   0.000001
    41  H    0.000575  -0.004703   0.002576   0.000010  -0.000002   0.000027
    42  H   -0.000000   0.000038   0.000014   0.000000  -0.000000   0.000000
    43  H   -0.000011   0.000288  -0.000757   0.000008  -0.000000  -0.000000
    44  H   -0.000000   0.000007  -0.000008   0.000000  -0.000000   0.000000
    45  H   -0.000001  -0.000015  -0.000005   0.000000  -0.000000   0.000000
    46  H    0.000010  -0.000193   0.000218  -0.000003  -0.000001   0.000001
    47  H    0.000014   0.000006   0.000078  -0.000003   0.000001  -0.000000
               7          8          9         10         11         12
     1  C   -0.112034   0.007675  -0.220999  -0.177865  -0.006152   0.037374
     2  C    0.791848   0.027900  -3.505350  -0.089408  -0.078298  -0.037615
     3  C   -2.557390  -0.341281  -0.460806   0.178161  -0.043433   0.075667
     4  C   -0.567056  -0.052056   0.105032  -0.003754  -0.001448  -0.005688
     5  C    0.001119   0.013010   0.018966   0.000978  -0.000171  -0.000519
     6  C    0.024616   0.047519   0.149239   0.000264   0.006910  -0.003378
     7  C   11.563571  -1.343045  -0.309986   0.018020  -0.006310   0.005247
     8  C   -1.343045  10.397298  -1.203770  -0.635030   0.123474  -0.038270
     9  C   -0.309986  -1.203770  15.153083  -1.599604   0.691513  -0.345871
    10  C    0.018020  -0.635030  -1.599604   7.991345  -0.671906   0.674637
    11  C   -0.006310   0.123474   0.691513  -0.671906   7.684229  -1.393975
    12  C    0.005247  -0.038270  -0.345871   0.674637  -1.393975  15.672129
    13  C    0.003228   0.022153  -0.056915  -0.151844  -0.133435  -4.239898
    14  C   -0.006981   0.022331   0.067311  -0.014880   0.084235  -0.175291
    15  C   -0.003748   0.001411   0.025510  -0.014599   0.045994  -0.294038
    16  C   -0.000689  -0.003409  -0.027494   0.093056  -0.732212  -1.359594
    17  C    0.007899  -0.011405   0.032083   0.059427  -0.114167  -0.124240
    18  C   -0.001913   0.007013  -0.012393   0.002684   0.003154   0.092506
    19  C    0.000223   0.000511   0.001289   0.000460   0.000981  -0.003626
    20  C   -0.001104   0.000908  -0.003656  -0.001288  -0.008336   0.064921
    21  Zr  -0.541595  -0.005682  -0.367414  -0.260144  -0.149613  -0.561398
    22  Cl   0.028415  -0.006274  -0.037182   0.003282  -0.007057   0.001528
    23  Cl   0.069262   0.037283   0.001860  -0.005431   0.005009  -0.043937
    24  H   -0.199188  -1.433114  -0.477875  -0.050150  -0.018490  -0.057471
    25  H   -1.084320  -0.096469   0.036967  -0.006953   0.000970   0.002606
    26  H   -0.025555  -0.024396  -0.001873   0.005650  -0.026137   0.067979
    27  H    0.025062  -0.031284  -0.371480  -0.030588  -0.044599   0.025012
    28  H   -0.003647  -0.000326   0.001849  -0.001799   0.000139  -0.000253
    29  H   -0.001825   0.002574   0.000798   0.002308  -0.000366   0.000033
    30  H   -0.016508   0.000745  -0.003456   0.000003   0.000295  -0.001281
    31  H    0.001987  -0.001633  -0.003443  -0.000175  -0.000038   0.000030
    32  H   -0.064340   0.016464   0.026247  -0.000112   0.000130   0.000022
    33  H   -0.045033   0.000876  -0.003167  -0.000142   0.000022   0.000201
    34  H    0.019593   0.145739   0.326731  -0.312956   0.204363  -0.103802
    35  H    0.011071  -0.296092  -0.229185   0.147709  -0.222113  -0.004719
    36  H   -0.008783   0.001359  -0.011848  -0.066864   0.211739  -0.111998
    37  H   -0.000085  -0.008268  -0.073550   0.091635  -0.275165   0.221875
    38  H    0.009580  -0.003946  -0.044106  -0.029747   0.025592  -0.447879
    39  H    0.000464   0.000863  -0.001582   0.001575  -0.016100  -0.034417
    40  H   -0.000475  -0.002999  -0.003046   0.001220   0.002782  -0.069052
    41  H   -0.001641   0.019638   0.042857  -0.050009  -0.028000  -0.157155
    42  H   -0.000051  -0.000097  -0.001203  -0.000878  -0.000541  -0.001489
    43  H    0.000900  -0.005585   0.005352   0.000528  -0.000757  -0.026197
    44  H    0.000019   0.000016   0.000037  -0.000013   0.000010  -0.000220
    45  H    0.000028  -0.000143   0.000298   0.000125   0.000176  -0.021194
    46  H    0.000127  -0.000803   0.000384  -0.000028   0.000024  -0.045986
    47  H   -0.000053   0.000161  -0.000518   0.000011  -0.000736   0.044876
              13         14         15         16         17         18
     1  C   -0.003821   0.000594   0.014211   0.035033   0.001415  -0.000051
     2  C    0.039351  -0.028188  -0.036366  -0.014616  -0.017312   0.002261
     3  C   -0.059206  -0.009644  -0.000184   0.046743   0.007909  -0.000615
     4  C    0.001487  -0.000465  -0.002365  -0.002310  -0.000037   0.000020
     5  C    0.000466  -0.000058   0.000259   0.001903  -0.000004   0.000002
     6  C   -0.001002   0.000768  -0.000012  -0.000299   0.000076  -0.000004
     7  C    0.003228  -0.006981  -0.003748  -0.000689   0.007899  -0.001913
     8  C    0.022153   0.022331   0.001411  -0.003409  -0.011405   0.007013
     9  C   -0.056915   0.067311   0.025510  -0.027494   0.032083  -0.012393
    10  C   -0.151844  -0.014880  -0.014599   0.093056   0.059427   0.002684
    11  C   -0.133435   0.084235   0.045994  -0.732212  -0.114167   0.003154
    12  C   -4.239898  -0.175291  -0.294038  -1.359594  -0.124240   0.092506
    13  C   15.701913  -2.805934   0.606857  -0.294467  -2.007772   0.110019
    14  C   -2.805934  13.869566  -2.186330  -0.001467  -0.460315  -0.273566
    15  C    0.606857  -2.186330  11.545710  -1.403717  -0.101841   0.029549
    16  C   -0.294467  -0.001467  -1.403717  10.674298   0.118726   0.021901
    17  C   -2.007772  -0.460315  -0.101841   0.118726   8.173089   0.174071
    18  C    0.110019  -0.273566   0.029549   0.021901   0.174071   4.880811
    19  C   -0.262854   0.217518   0.069009   0.024578   0.036987   0.207582
    20  C    0.019920  -1.100370  -0.748062  -0.110819  -0.091090   0.039126
    21  Zr   0.181020  -0.534667  -0.560248   0.030446  -0.118905   0.004091
    22  Cl  -0.022815  -0.003940   0.041377   0.057862   0.002542   0.000076
    23  Cl   0.037793   0.011313   0.044103  -0.004233  -0.008003  -0.008850
    24  H    0.146250  -0.022307   0.007681  -0.002146  -0.100246   0.003011
    25  H   -0.007521   0.003617  -0.000067   0.000981   0.002716  -0.000377
    26  H   -0.024392   0.007529  -0.002346   0.015290   0.000749  -0.000012
    27  H    0.000175   0.000728  -0.000037  -0.005097   0.000050  -0.000006
    28  H   -0.000003   0.000008   0.000028  -0.000611   0.000000   0.000000
    29  H   -0.000058   0.000005  -0.000012   0.000380   0.000004  -0.000000
    30  H    0.000175  -0.000200   0.000026   0.000178  -0.000010   0.000001
    31  H    0.000015  -0.000009   0.000027   0.000087  -0.000000  -0.000000
    32  H   -0.000114   0.000064  -0.000002  -0.000148   0.000006  -0.000000
    33  H   -0.000143   0.000224   0.000167  -0.000359   0.000020  -0.000001
    34  H    0.025452  -0.004689   0.000059  -0.017609  -0.015598   0.000446
    35  H   -0.104268  -0.018139  -0.011922   0.010590   0.062790  -0.001113
    36  H    0.101732   0.010014   0.011474  -0.235899  -0.010449  -0.000330
    37  H   -0.011376  -0.018885   0.027019   0.101443  -0.018027   0.000193
    38  H    0.150498  -0.136055  -0.259653  -1.794900  -0.002986  -0.000813
    39  H   -0.142260  -0.164344  -0.808689   0.103362   0.003157   0.003675
    40  H    0.761980  -0.027878   0.018869   0.007713  -0.592509  -0.073996
    41  H   -0.080548   0.228295   0.009844  -0.039668  -0.028710  -0.169444
    42  H   -0.056325   0.073409  -0.005476  -0.001711   0.131620   0.370326
    43  H    0.065615  -0.061252  -0.002220  -0.000931   0.077241  -0.036712
    44  H    0.045620  -0.038614   0.003335  -0.000652   0.025380   0.040962
    45  H   -0.082582   0.053998  -0.002922   0.005051  -0.023119  -0.009822
    46  H   -0.019674   0.305118   0.055057   0.009172  -0.014286  -0.022457
    47  H    0.145203  -0.065633  -0.215579  -0.012873   0.014939   0.005886
              19         20         21         22         23         24
     1  C    0.000003   0.000207  -0.056894  -0.013919   0.001397  -0.000949
     2  C   -0.000072   0.000046  -0.242161   0.048545  -0.013636   0.202469
     3  C    0.000080   0.000028  -0.152489  -0.021399  -0.017139  -0.204234
     4  C    0.000004  -0.000042  -0.015056   0.008519   0.002994   0.009647
     5  C   -0.000001   0.000025  -0.003954  -0.021686  -0.000248  -0.000105
     6  C    0.000001  -0.000019  -0.000681   0.004634   0.000622  -0.004319
     7  C    0.000223  -0.001104  -0.541595   0.028415   0.069262  -0.199188
     8  C    0.000511   0.000908  -0.005682  -0.006274   0.037283  -1.433114
     9  C    0.001289  -0.003656  -0.367414  -0.037182   0.001860  -0.477875
    10  C    0.000460  -0.001288  -0.260144   0.003282  -0.005431  -0.050150
    11  C    0.000981  -0.008336  -0.149613  -0.007057   0.005009  -0.018490
    12  C   -0.003626   0.064921  -0.561398   0.001528  -0.043937  -0.057471
    13  C   -0.262854   0.019920   0.181020  -0.022815   0.037793   0.146250
    14  C    0.217518  -1.100370  -0.534667  -0.003940   0.011313  -0.022307
    15  C    0.069009  -0.748062  -0.560248   0.041377   0.044103   0.007681
    16  C    0.024578  -0.110819   0.030446   0.057862  -0.004233  -0.002146
    17  C    0.036987  -0.091090  -0.118905   0.002542  -0.008003  -0.100246
    18  C    0.207582   0.039126   0.004091   0.000076  -0.008850   0.003011
    19  C    4.690595   0.041029  -0.009895  -0.000068  -0.011804  -0.001688
    20  C    0.041029   7.075253   0.118703   0.003833  -0.013652   0.003506
    21  Zr  -0.009895   0.118703  12.851603   0.087122   0.099319   0.241500
    22  Cl  -0.000068   0.003833   0.087122  17.510006  -0.000522  -0.003677
    23  Cl  -0.011804  -0.013652   0.099319  -0.000522  17.501341  -0.067265
    24  H   -0.001688   0.003506   0.241500  -0.003677  -0.067265   3.853076
    25  H    0.000048  -0.000625   0.251030  -0.016352  -0.015495  -0.418090
    26  H   -0.000006  -0.000056  -0.109836  -0.003745  -0.001609   0.000572
    27  H   -0.000001  -0.000002   0.042555  -0.001042  -0.000168   0.003924
    28  H   -0.000000  -0.000000   0.010563  -0.000853  -0.000017  -0.000002
    29  H    0.000000  -0.000000   0.007484  -0.000818  -0.000024  -0.000181
    30  H   -0.000000   0.000003   0.017951  -0.011240  -0.000141   0.000064
    31  H   -0.000000   0.000000  -0.006664   0.004323   0.000064   0.000020
    32  H    0.000000  -0.000003   0.002680   0.007117   0.000306  -0.000355
    33  H    0.000000  -0.000010  -0.062344   0.001138  -0.002291   0.000222
    34  H   -0.000011   0.000009   0.037178  -0.000431  -0.000200   0.055142
    35  H    0.000367  -0.000436   0.010296   0.001406  -0.001047  -0.137954
    36  H    0.000247  -0.000306   0.016811  -0.001593   0.001013  -0.006489
    37  H   -0.000668   0.001223   0.061783  -0.000213  -0.000156   0.002306
    38  H   -0.002449   0.017471   0.269371  -0.059774  -0.005210   0.002517
    39  H    0.010567  -0.187414   0.139986  -0.000981  -0.007520  -0.000472
    40  H   -0.004330   0.011513   0.009433   0.000049   0.000068   0.000567
    41  H    0.031178   0.036846  -0.053814  -0.001460  -0.006945  -0.019127
    42  H   -0.094059   0.023642   0.019015  -0.000006  -0.003259   0.000541
    43  H    0.085591  -0.035792  -0.032122  -0.000384   0.000011   0.004782
    44  H    0.261847   0.052710  -0.011340   0.000053   0.005151  -0.000018
    45  H    0.356454  -0.045484   0.017390  -0.000188  -0.001326  -0.000061
    46  H    0.052300  -0.055539  -0.047097  -0.002923  -0.001738   0.000040
    47  H   -0.107944   0.254935   0.017713   0.001412  -0.008000   0.000038
              25         26         27         28         29         30
     1  C   -0.004323  -0.572050  -0.059508   0.232604  -0.083776  -0.059664
     2  C   -0.221312   0.483227   0.316468  -0.118922   0.092409  -0.072800
     3  C   -0.056318   0.042530   0.192490   0.054832  -0.044236  -0.042518
     4  C   -0.184845   0.021499   0.012294   0.023487  -0.017746   0.127852
     5  C    0.001678   0.009267   0.007224   0.007307   0.029749   0.199541
     6  C    0.008739  -0.272255  -0.380020   0.303173   0.186165   0.054376
     7  C   -1.084320  -0.025555   0.025062  -0.003647  -0.001825  -0.016508
     8  C   -0.096469  -0.024396  -0.031284  -0.000326   0.002574   0.000745
     9  C    0.036967  -0.001873  -0.371480   0.001849   0.000798  -0.003456
    10  C   -0.006953   0.005650  -0.030588  -0.001799   0.002308   0.000003
    11  C    0.000970  -0.026137  -0.044599   0.000139  -0.000366   0.000295
    12  C    0.002606   0.067979   0.025012  -0.000253   0.000033  -0.001281
    13  C   -0.007521  -0.024392   0.000175  -0.000003  -0.000058   0.000175
    14  C    0.003617   0.007529   0.000728   0.000008   0.000005  -0.000200
    15  C   -0.000067  -0.002346  -0.000037   0.000028  -0.000012   0.000026
    16  C    0.000981   0.015290  -0.005097  -0.000611   0.000380   0.000178
    17  C    0.002716   0.000749   0.000050   0.000000   0.000004  -0.000010
    18  C   -0.000377  -0.000012  -0.000006   0.000000  -0.000000   0.000001
    19  C    0.000048  -0.000006  -0.000001  -0.000000   0.000000  -0.000000
    20  C   -0.000625  -0.000056  -0.000002  -0.000000  -0.000000   0.000003
    21  Zr   0.251030  -0.109836   0.042555   0.010563   0.007484   0.017951
    22  Cl  -0.016352  -0.003745  -0.001042  -0.000853  -0.000818  -0.011240
    23  Cl  -0.015495  -0.001609  -0.000168  -0.000017  -0.000024  -0.000141
    24  H   -0.418090   0.000572   0.003924  -0.000002  -0.000181   0.000064
    25  H    2.867053  -0.001221  -0.001974   0.000050   0.001725   0.000974
    26  H   -0.001221   1.972540  -0.161842  -0.252162   0.117030   0.051867
    27  H   -0.001974  -0.161842   1.712209  -0.011261  -0.050856  -0.018604
    28  H    0.000050  -0.252162  -0.011261   1.309883  -0.326734  -0.009303
    29  H    0.001725   0.117030  -0.050856  -0.326734   1.066475   0.021710
    30  H    0.000974   0.051867  -0.018604  -0.009303   0.021710   0.946262
    31  H   -0.000680  -0.002014   0.001168  -0.079119   0.016563  -0.228477
    32  H    0.024587   0.003362  -0.001849  -0.000423  -0.008971   0.011381
    33  H   -0.023325   0.001939  -0.000409  -0.004318  -0.002295  -0.048359
    34  H   -0.001875  -0.005698  -0.029294  -0.000240   0.000269   0.000073
    35  H    0.004086   0.006145   0.005899  -0.000032   0.000219  -0.000016
    36  H    0.000396  -0.046873  -0.050482   0.001153  -0.000658   0.000035
    37  H   -0.000012  -0.003942   0.007796   0.000003  -0.000001  -0.000008
    38  H   -0.000632   0.018434   0.001695  -0.002055   0.000692   0.001274
    39  H    0.000254   0.001452   0.000047   0.000002  -0.000001  -0.000129
    40  H    0.000015  -0.000007  -0.000005   0.000000   0.000000   0.000000
    41  H    0.000217  -0.000014   0.000108   0.000000   0.000000   0.000000
    42  H    0.000008   0.000000   0.000000   0.000000  -0.000000   0.000000
    43  H   -0.000374  -0.000002   0.000000   0.000000   0.000000   0.000000
    44  H   -0.000000   0.000000   0.000000   0.000000   0.000000  -0.000000
    45  H    0.000000  -0.000001  -0.000000  -0.000000   0.000000  -0.000000
    46  H   -0.000077  -0.000006   0.000000  -0.000000  -0.000000   0.000000
    47  H   -0.000004   0.000003   0.000000  -0.000000   0.000000  -0.000000
              31         32         33         34         35         36
     1  C    0.022176   0.009927   0.008199  -0.072506   0.036866   0.033856
     2  C    0.075156   0.022425   0.053295  -0.012132   0.148053  -0.119919
     3  C   -0.012084   0.239192   0.183767  -0.047557   0.050326  -0.020932
     4  C   -0.007150  -0.297762   0.098213   0.001879  -0.001108  -0.000601
     5  C    0.283919  -0.027510   0.022579  -0.000229   0.000047   0.000062
     6  C   -0.002238  -0.025389   0.002378  -0.000027  -0.000197   0.007357
     7  C    0.001987  -0.064340  -0.045033   0.019593   0.011071  -0.008783
     8  C   -0.001633   0.016464   0.000876   0.145739  -0.296092   0.001359
     9  C   -0.003443   0.026247  -0.003167   0.326731  -0.229185  -0.011848
    10  C   -0.000175  -0.000112  -0.000142  -0.312956   0.147709  -0.066864
    11  C   -0.000038   0.000130   0.000022   0.204363  -0.222113   0.211739
    12  C    0.000030   0.000022   0.000201  -0.103802  -0.004719  -0.111998
    13  C    0.000015  -0.000114  -0.000143   0.025452  -0.104268   0.101732
    14  C   -0.000009   0.000064   0.000224  -0.004689  -0.018139   0.010014
    15  C    0.000027  -0.000002   0.000167   0.000059  -0.011922   0.011474
    16  C    0.000087  -0.000148  -0.000359  -0.017609   0.010590  -0.235899
    17  C   -0.000000   0.000006   0.000020  -0.015598   0.062790  -0.010449
    18  C   -0.000000  -0.000000  -0.000001   0.000446  -0.001113  -0.000330
    19  C   -0.000000   0.000000   0.000000  -0.000011   0.000367   0.000247
    20  C    0.000000  -0.000003  -0.000010   0.000009  -0.000436  -0.000306
    21  Zr  -0.006664   0.002680  -0.062344   0.037178   0.010296   0.016811
    22  Cl   0.004323   0.007117   0.001138  -0.000431   0.001406  -0.001593
    23  Cl   0.000064   0.000306  -0.002291  -0.000200  -0.001047   0.001013
    24  H    0.000020  -0.000355   0.000222   0.055142  -0.137954  -0.006489
    25  H   -0.000680   0.024587  -0.023325  -0.001875   0.004086   0.000396
    26  H   -0.002014   0.003362   0.001939  -0.005698   0.006145  -0.046873
    27  H    0.001168  -0.001849  -0.000409  -0.029294   0.005899  -0.050482
    28  H   -0.079119  -0.000423  -0.004318  -0.000240  -0.000032   0.001153
    29  H    0.016563  -0.008971  -0.002295   0.000269   0.000219  -0.000658
    30  H   -0.228477   0.011381  -0.048359   0.000073  -0.000016   0.000035
    31  H    1.157852  -0.090113   0.034934  -0.000011   0.000003   0.000003
    32  H   -0.090113   0.957251  -0.047329   0.000087  -0.000033   0.000022
    33  H    0.034934  -0.047329   0.840244   0.000008   0.000021  -0.000023
    34  H   -0.000011   0.000087   0.000008   1.795469  -0.707950  -0.015713
    35  H    0.000003  -0.000033   0.000021  -0.707950   2.098724  -0.043944
    36  H    0.000003   0.000022  -0.000023  -0.015713  -0.043944   1.664843
    37  H    0.000000  -0.000002  -0.000001  -0.004752  -0.020591  -0.500388
    38  H    0.000029  -0.000052  -0.000154   0.002791  -0.009799  -0.132227
    39  H   -0.000000   0.000005   0.000015  -0.000003   0.000521   0.002627
    40  H   -0.000000   0.000000  -0.000000   0.000851  -0.002778  -0.000287
    41  H    0.000000   0.000001  -0.000001  -0.001666  -0.047481  -0.004540
    42  H   -0.000000   0.000000  -0.000000   0.000016  -0.002159  -0.000046
    43  H    0.000000  -0.000000  -0.000001  -0.000019   0.002350   0.000166
    44  H   -0.000000   0.000000   0.000000   0.000000   0.000009  -0.000003
    45  H   -0.000000   0.000000   0.000000  -0.000004   0.000070   0.000031
    46  H    0.000000  -0.000000   0.000000  -0.000001  -0.000037   0.000020
    47  H    0.000000  -0.000000  -0.000000   0.000000   0.000016  -0.000034
              37         38         39         40         41         42
     1  C   -0.006638  -0.104974   0.000743  -0.000097   0.000575  -0.000000
     2  C    0.035720   0.121822   0.001046  -0.000337  -0.004703   0.000038
     3  C   -0.003746  -0.015091   0.001234   0.000290   0.002576   0.000014
     4  C   -0.000025   0.007203  -0.000768  -0.000004   0.000010   0.000000
     5  C    0.000011  -0.000785   0.000043   0.000001  -0.000002  -0.000000
     6  C    0.000064  -0.004847   0.000061   0.000001   0.000027   0.000000
     7  C   -0.000085   0.009580   0.000464  -0.000475  -0.001641  -0.000051
     8  C   -0.008268  -0.003946   0.000863  -0.002999   0.019638  -0.000097
     9  C   -0.073550  -0.044106  -0.001582  -0.003046   0.042857  -0.001203
    10  C    0.091635  -0.029747   0.001575   0.001220  -0.050009  -0.000878
    11  C   -0.275165   0.025592  -0.016100   0.002782  -0.028000  -0.000541
    12  C    0.221875  -0.447879  -0.034417  -0.069052  -0.157155  -0.001489
    13  C   -0.011376   0.150498  -0.142260   0.761980  -0.080548  -0.056325
    14  C   -0.018885  -0.136055  -0.164344  -0.027878   0.228295   0.073409
    15  C    0.027019  -0.259653  -0.808689   0.018869   0.009844  -0.005476
    16  C    0.101443  -1.794900   0.103362   0.007713  -0.039668  -0.001711
    17  C   -0.018027  -0.002986   0.003157  -0.592509  -0.028710   0.131620
    18  C    0.000193  -0.000813   0.003675  -0.073996  -0.169444   0.370326
    19  C   -0.000668  -0.002449   0.010567  -0.004330   0.031178  -0.094059
    20  C    0.001223   0.017471  -0.187414   0.011513   0.036846   0.023642
    21  Zr   0.061783   0.269371   0.139986   0.009433  -0.053814   0.019015
    22  Cl  -0.000213  -0.059774  -0.000981   0.000049  -0.001460  -0.000006
    23  Cl  -0.000156  -0.005210  -0.007520   0.000068  -0.006945  -0.003259
    24  H    0.002306   0.002517  -0.000472   0.000567  -0.019127   0.000541
    25  H   -0.000012  -0.000632   0.000254   0.000015   0.000217   0.000008
    26  H   -0.003942   0.018434   0.001452  -0.000007  -0.000014   0.000000
    27  H    0.007796   0.001695   0.000047  -0.000005   0.000108   0.000000
    28  H    0.000003  -0.002055   0.000002   0.000000   0.000000   0.000000
    29  H   -0.000001   0.000692  -0.000001   0.000000   0.000000  -0.000000
    30  H   -0.000008   0.001274  -0.000129   0.000000   0.000000   0.000000
    31  H    0.000000   0.000029  -0.000000  -0.000000   0.000000  -0.000000
    32  H   -0.000002  -0.000052   0.000005   0.000000   0.000001   0.000000
    33  H   -0.000001  -0.000154   0.000015  -0.000000  -0.000001  -0.000000
    34  H   -0.004752   0.002791  -0.000003   0.000851  -0.001666   0.000016
    35  H   -0.020591  -0.009799   0.000521  -0.002778  -0.047481  -0.002159
    36  H   -0.500388  -0.132227   0.002627  -0.000287  -0.004540  -0.000046
    37  H    1.498107   0.055181  -0.001783   0.004094   0.011487  -0.000045
    38  H    0.055181   4.117173  -0.398964   0.000823   0.003330   0.000032
    39  H   -0.001783  -0.398964   2.599288  -0.001116  -0.001737  -0.000025
    40  H    0.004094   0.000823  -0.001116   1.149828  -0.141610  -0.091359
    41  H    0.011487   0.003330  -0.001737  -0.141610   1.698726  -0.079703
    42  H   -0.000045   0.000032  -0.000025  -0.091359  -0.079703   1.350831
    43  H   -0.000131   0.000091  -0.000307   0.029086   0.043690  -0.362235
    44  H    0.000004   0.000011  -0.000284  -0.007116  -0.002621  -0.061560
    45  H   -0.000034  -0.000115   0.002456   0.000381  -0.002743  -0.003939
    46  H    0.000010  -0.000421   0.007851   0.005004  -0.001207  -0.005916
    47  H    0.000051   0.002336  -0.035672   0.000830  -0.001011   0.001270
              43         44         45         46         47
     1  C   -0.000011  -0.000000  -0.000001   0.000010   0.000014
     2  C    0.000288   0.000007  -0.000015  -0.000193   0.000006
     3  C   -0.000757  -0.000008  -0.000005   0.000218   0.000078
     4  C    0.000008   0.000000   0.000000  -0.000003  -0.000003
     5  C   -0.000000  -0.000000  -0.000000  -0.000001   0.000001
     6  C   -0.000000   0.000000   0.000000   0.000001  -0.000000
     7  C    0.000900   0.000019   0.000028   0.000127  -0.000053
     8  C   -0.005585   0.000016  -0.000143  -0.000803   0.000161
     9  C    0.005352   0.000037   0.000298   0.000384  -0.000518
    10  C    0.000528  -0.000013   0.000125  -0.000028   0.000011
    11  C   -0.000757   0.000010   0.000176   0.000024  -0.000736
    12  C   -0.026197  -0.000220  -0.021194  -0.045986   0.044876
    13  C    0.065615   0.045620  -0.082582  -0.019674   0.145203
    14  C   -0.061252  -0.038614   0.053998   0.305118  -0.065633
    15  C   -0.002220   0.003335  -0.002922   0.055057  -0.215579
    16  C   -0.000931  -0.000652   0.005051   0.009172  -0.012873
    17  C    0.077241   0.025380  -0.023119  -0.014286   0.014939
    18  C   -0.036712   0.040962  -0.009822  -0.022457   0.005886
    19  C    0.085591   0.261847   0.356454   0.052300  -0.107944
    20  C   -0.035792   0.052710  -0.045484  -0.055539   0.254935
    21  Zr  -0.032122  -0.011340   0.017390  -0.047097   0.017713
    22  Cl  -0.000384   0.000053  -0.000188  -0.002923   0.001412
    23  Cl   0.000011   0.005151  -0.001326  -0.001738  -0.008000
    24  H    0.004782  -0.000018  -0.000061   0.000040   0.000038
    25  H   -0.000374  -0.000000   0.000000  -0.000077  -0.000004
    26  H   -0.000002   0.000000  -0.000001  -0.000006   0.000003
    27  H    0.000000   0.000000  -0.000000   0.000000   0.000000
    28  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000
    29  H    0.000000   0.000000   0.000000  -0.000000   0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000
    31  H    0.000000  -0.000000  -0.000000   0.000000   0.000000
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000
    33  H   -0.000001   0.000000   0.000000   0.000000  -0.000000
    34  H   -0.000019   0.000000  -0.000004  -0.000001   0.000000
    35  H    0.002350   0.000009   0.000070  -0.000037   0.000016
    36  H    0.000166  -0.000003   0.000031   0.000020  -0.000034
    37  H   -0.000131   0.000004  -0.000034   0.000010   0.000051
    38  H    0.000091   0.000011  -0.000115  -0.000421   0.002336
    39  H   -0.000307  -0.000284   0.002456   0.007851  -0.035672
    40  H    0.029086  -0.007116   0.000381   0.005004   0.000830
    41  H    0.043690  -0.002621  -0.002743  -0.001207  -0.001011
    42  H   -0.362235  -0.061560  -0.003939  -0.005916   0.001270
    43  H    1.187158   0.015779   0.020317   0.019433  -0.008920
    44  H    0.015779   1.042666  -0.203962  -0.058242   0.002202
    45  H    0.020317  -0.203962   0.959701   0.035398  -0.070672
    46  H    0.019433  -0.058242   0.035398   1.027883  -0.186892
    47  H   -0.008920   0.002202  -0.070672  -0.186892   1.088898
 Mulliken charges:
               1
     1  C    1.009917
     2  C   -1.588485
     3  C   -1.098456
     4  C    0.679735
     5  C    0.359119
     6  C    0.659195
     7  C    0.321077
     8  C    0.648454
     9  C   -1.309637
    10  C    0.903090
    11  C    0.887812
    12  C   -1.276189
    13  C   -1.597695
    14  C   -0.796544
    15  C    0.102861
    16  C    0.709139
    17  C    0.928134
    18  C    0.613111
    19  C    0.410026
    20  C    0.638249
    21  Zr   1.358971
    22  Cl  -0.572698
    23  Cl  -0.569042
    24  H   -0.311904
    25  H   -0.065479
    26  H   -0.289015
    27  H   -0.104497
    28  H   -0.133000
    29  H   -0.008037
    30  H    0.077930
    31  H   -0.164507
    32  H    0.243230
    33  H   -0.008758
    34  H   -0.261184
    35  H    0.265533
    36  H    0.326268
    37  H   -0.171512
    38  H   -0.350315
    39  H   -0.076729
    40  H    0.013605
    41  H   -0.203846
    42  H   -0.198680
    43  H    0.016324
    44  H   -0.111167
    45  H    0.016457
    46  H   -0.054523
    47  H    0.133664
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.616406
     2  C   -1.588485
     3  C   -1.098456
     4  C    0.914207
     5  C    0.272542
     6  C    0.518158
     7  C    0.255598
     8  C    0.336550
     9  C   -1.309637
    10  C    0.907438
    11  C    1.042568
    12  C   -1.276189
    13  C   -1.597695
    14  C   -0.796544
    15  C    0.026132
    16  C    0.358824
    17  C    0.737893
    18  C    0.430755
    19  C    0.315315
    20  C    0.717390
    21  Zr   1.358971
    22  Cl  -0.572698
    23  Cl  -0.569042
 Electronic spatial extent (au):  <R**2>=           7213.4440
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2490    Y=              5.3422    Z=             -0.2004  Tot=              5.3518
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -159.7606   YY=           -174.2210   ZZ=           -170.9979
   XY=             -0.0766   XZ=              1.9011   YZ=              0.1727
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.5658   YY=             -5.8945   ZZ=             -2.6714
   XY=             -0.0766   XZ=              1.9011   YZ=              0.1727
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.4206  YYY=             14.9496  ZZZ=             -0.3927  XYY=             -1.6260
  XXY=             -8.3650  XXZ=             -0.5724  XZZ=              1.8476  YZZ=             -7.2928
  YYZ=              1.4073  XYZ=            -23.9290
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5832.0775 YYYY=          -2346.6373 ZZZZ=          -1610.8779 XXXY=             -6.3754
 XXXZ=            -26.2507 YYYX=              1.8736 YYYZ=             -5.0300 ZZZX=            -27.4856
 ZZZY=              5.2810 XXYY=          -1383.9491 XXZZ=          -1285.6489 YYZZ=           -675.8772
 XXYZ=             -1.0442 YYXZ=             17.9354 ZZXY=              0.6546
 N-N= 2.554176194561D+03 E-N=-9.179431922176D+03  KE= 1.698076561261D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 20:40:11 2021, MaxMem= 10737418240 cpu:               8.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3326    1.3355       -0.1874   -0.2006
 2     -1.3326   -1.3355       -0.2065   -0.1876      -33.1526  -33.1462
 3      0.1874    0.2006       42.3083   42.3144        0.1766    0.1876
 4      0.2065    0.1876       -0.0000    0.0000        0.2060    0.2006
 5     -9.1557   -9.1681       -0.2060   -0.2006        1.3274    1.3355
 6     -0.1766   -0.1876       -1.3274   -1.3355        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.0065   -4.0065       -0.6016   -0.6017
 2      0.5628    0.5628        0.0000    0.0000       -0.6017   -0.6017
 3      0.5628    0.5628       -4.0065   -4.0065       -0.0000    0.0000
 4     -4.0066   -4.0065       -0.5628   -0.5628      -99.4387  -99.4387
 5      0.6017    0.6017      126.9431  126.9431        0.5628    0.5628
 6    -27.5044  -27.5044       -0.6016   -0.6017        4.0065    4.0065
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.3701    0.0000       -4.4870   -5.3421        0.0116    0.8022
 2      5.9816    5.3421        3.0941    0.7504      130.9179  132.5849
 3      0.3054   -0.8022     -169.6254 -169.2574       -0.3479   -0.7504
 4     -1.3313   -0.7504       -0.2838    0.0000       -0.7984   -0.8022
 5     36.9354   36.6725        1.3598    0.8022       -5.8092   -5.3421
 6      0.2573    0.7504        5.0617    5.3421       -0.8505    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.4458    0.0000       29.4134   29.8317        3.2503    1.6437
 2    -28.8834  -29.8317       -8.4910   -6.1506       31.5255   29.5122
 3     -2.0475   -1.6437       24.8595   25.7890        5.5840    6.1506
 4     10.7821    6.1506       -1.2619    0.0000       -2.5663   -1.6437
 5    -56.1444  -55.3012        5.1469    1.6437       31.6047   29.8317
 6     -9.2520   -6.1506      -28.9563  -29.8317       -1.0898    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.6000   12.3936      -20.8154  -21.3481       -6.0864   -3.3670
 2     21.9788   22.1467        2.9512    3.6909       -2.8825   -3.3670
 3     20.8912   22.1467      -22.5564  -21.3481      -10.1035   -7.9936
 4    -25.0688  -25.0390      -10.0630   -9.7531       55.6467   55.0960
 5     -3.5594   -4.6265       28.2360   31.0214        9.9835    9.7531
 6    -87.9950  -86.1174        6.1579    4.6265       28.4558   25.0390
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0627                 1.2133                 1.4407
  Dep-P Fr= 1--      0.5877                 0.4923                 0.6933
  Dep-U Fr= 1--      0.7403                 0.6598                 0.8189
 Alpha2 Fr= 1--      0.0002                 0.0062                 0.0014
 Beta2  Fr= 1--      0.0077                 0.1334                 0.1966
 AlphaG Fr= 1--     -0.0001                 0.0041                -0.0034
 Gamma2 Fr= 1--      0.0213                 0.7247                -0.2797
 Delta2 Fr= 1--     -0.0052                 0.0265                 0.1374
 Raman1 Fr= 1--       0.251                  4.853                  5.763
 ROA1   Fr= 1--       1.880                 70.425                -22.453
 CID1   Fr= 1--       7.492                 14.511                 -3.896
 Raman2 Fr= 1--       0.093                  1.601                  2.360
 ROA2   Fr= 1--       0.552                 17.181                 -7.812
 CID2   Fr= 1--       5.950                 10.731                 -3.311
 Raman3 Fr= 1--       0.186                  3.202                  4.719
 ROA3   Fr= 1--       1.880                 70.425                -22.453
 CID3   Fr= 1--      10.121                 21.993                 -4.758
 RC180  Fr= 1--       0.481                  0.320                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.3591                 0.7393                 1.7914
  Dep-P Fr= 1--      0.6500                 0.3491                 0.6895
  Dep-U Fr= 1--      0.7879                 0.5175                 0.8162
 Alpha2 Fr= 1--      0.0024                 0.0065                 0.0019
 Beta2  Fr= 1--      0.1785                 0.0638                 0.2437
 AlphaG Fr= 1--      0.0015                -0.0026                 0.0026
 Gamma2 Fr= 1--     -0.2109                -0.1271                -0.2892
 Delta2 Fr= 1--     -0.0326                -0.0272                 0.1799
 Raman1 Fr= 1--       5.437                  2.957                  7.166
 ROA1   Fr= 1--     -21.286                -13.071                -22.005
 CID1   Fr= 1--      -3.915                 -4.420                 -3.071
 Raman2 Fr= 1--       2.142                  0.765                  2.924
 ROA2   Fr= 1--      -4.801                 -2.832                 -8.379
 CID2   Fr= 1--      -2.241                 -3.701                 -2.865
 Raman3 Fr= 1--       4.283                  1.531                  5.848
 ROA3   Fr= 1--     -21.286                -13.071                -22.005
 CID3   Fr= 1--      -4.969                 -8.540                 -3.762
 RC180  Fr= 1--       0.576                  0.035                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      3.3208                 2.8084                 1.8026
  Dep-P Fr= 1--      0.4198                 0.6174                 0.7060
  Dep-U Fr= 1--      0.5914                 0.7635                 0.8277
 Alpha2 Fr= 1--      0.0229                 0.0068                 0.0014
 Beta2  Fr= 1--      0.3273                 0.3574                 0.2487
 AlphaG Fr= 1--      0.0294                 0.0039                -0.0000
 Gamma2 Fr= 1--      0.9377                 0.6889                -1.0851
 Delta2 Fr= 1--     -0.0898                -0.1322                 0.2280
 Raman1 Fr= 1--      13.283                 11.234                  7.210
 ROA1   Fr= 1--      87.143                 61.910                -96.878
 CID1   Fr= 1--       6.560                  5.511                -13.436
 Raman2 Fr= 1--       3.928                  4.288                  2.984
 ROA2   Fr= 1--      23.222                 17.592                -27.867
 CID2   Fr= 1--       5.912                  4.102                 -9.339
 Raman3 Fr= 1--       7.855                  8.577                  5.968
 ROA3   Fr= 1--      87.143                 61.910                -96.878
 CID3   Fr= 1--      11.093                  7.218                -16.234
 RC180  Fr= 1--       0.183                  0.527                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.1285                 6.6096                 3.2085
  Dep-P Fr= 1--      0.2795                 0.2193                 0.4929
  Dep-U Fr= 1--      0.4369                 0.3597                 0.6603
 Alpha2 Fr= 1--      0.0123                 0.0852                 0.0164
 Beta2  Fr= 1--      0.0822                 0.3962                 0.3531
 AlphaG Fr= 1--      0.0025                -0.0908                 0.1184
 Gamma2 Fr= 1--      0.5527                 1.9901                 0.2522
 Delta2 Fr= 1--      0.1954                 0.3317                -0.0103
 Raman1 Fr= 1--       4.514                 26.438                 12.834
 ROA1   Fr= 1--      59.313                201.666                 23.884
 CID1   Fr= 1--      13.139                  7.628                  1.861
 Raman2 Fr= 1--       0.986                  4.755                  4.237
 ROA2   Fr= 1--      11.701                 45.110                  6.136
 CID2   Fr= 1--      11.867                  9.487                  1.448
 Raman3 Fr= 1--       1.972                  9.510                  8.475
 ROA3   Fr= 1--      59.313                201.666                 23.884
 CID3   Fr= 1--      30.077                 21.207                  2.818
 RC180  Fr= 1--      -0.126                 -0.281                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      2.0187                 0.7860                 1.5887
  Dep-P Fr= 1--      0.3368                 0.3986                 0.2168
  Dep-U Fr= 1--      0.5039                 0.5700                 0.3563
 Alpha2 Fr= 1--      0.0185                 0.0059                 0.0206
 Beta2  Fr= 1--      0.1695                 0.0747                 0.0944
 AlphaG Fr= 1--      0.0354                 0.0128                 0.0471
 Gamma2 Fr= 1--     -1.3170                 0.8232                 0.3610
 Delta2 Fr= 1--      0.0721                -0.0467                -0.0183
 Raman1 Fr= 1--       8.075                  3.144                  6.355
 ROA1   Fr= 1--    -124.124                 77.534                 34.074
 CID1   Fr= 1--     -15.371                 24.662                  5.362
 Raman2 Fr= 1--       2.034                  0.896                  1.132
 ROA2   Fr= 1--     -32.184                 20.131                  8.811
 CID2   Fr= 1--     -15.820                 22.466                  7.782
 Raman3 Fr= 1--       4.069                  1.792                  2.264
 ROA3   Fr= 1--    -124.124                 77.534                 34.074
 CID3   Fr= 1--     -30.506                 43.265                 15.048
 RC180  Fr= 1--       0.008                  0.140                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     15.9858                 1.4563                 3.5353
  Dep-P Fr= 1--      0.1903                 0.7158                 0.2091
  Dep-U Fr= 1--      0.3198                 0.8344                 0.3459
 Alpha2 Fr= 1--      0.2227                 0.0009                 0.0469
 Beta2  Fr= 1--      0.8519                 0.2025                 0.2038
 AlphaG Fr= 1--     -0.3036                -0.0057                 0.0198
 Gamma2 Fr= 1--     -1.1998                 0.1179                 0.1754
 Delta2 Fr= 1--      0.0759                 0.0350                 0.3944
 Raman1 Fr= 1--      63.943                  5.825                 14.141
 ROA1   Fr= 1--    -112.753                 12.441                 29.457
 CID1   Fr= 1--      -1.763                  2.136                  2.083
 Raman2 Fr= 1--      10.223                  2.430                  2.445
 ROA2   Fr= 1--     -29.402                  2.550                  1.054
 CID2   Fr= 1--      -2.876                  1.049                  0.431
 Raman3 Fr= 1--      20.447                  4.860                  4.891
 ROA3   Fr= 1--    -112.753                 12.441                 29.457
 CID3   Fr= 1--      -5.514                  2.560                  6.023
 RC180  Fr= 1--      -0.360                  0.669                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      5.0402                 3.1090                 8.4820
  Dep-P Fr= 1--      0.0901                 0.6935                 0.0193
  Dep-U Fr= 1--      0.1654                 0.8190                 0.0379
 Alpha2 Fr= 1--      0.0904                 0.0031                 0.1802
 Beta2  Fr= 1--      0.1389                 0.4244                 0.0535
 AlphaG Fr= 1--      0.0169                 0.0078                -0.1031
 Gamma2 Fr= 1--      0.8695                -0.5669                 0.6790
 Delta2 Fr= 1--      0.2440                 0.2874                -0.1981
 Raman1 Fr= 1--      20.161                 12.436                 33.928
 ROA1   Fr= 1--      91.282                -45.228                 58.841
 CID1   Fr= 1--       4.528                 -3.637                  1.734
 Raman2 Fr= 1--       1.667                  5.092                  0.642
 ROA2   Fr= 1--      18.916                -15.906                 17.880
 CID2   Fr= 1--      11.346                 -3.123                 27.841
 Raman3 Fr= 1--       3.334                 10.185                  1.284
 ROA3   Fr= 1--      91.282                -45.228                 58.841
 CID3   Fr= 1--      27.376                 -4.441                 45.811
 RC180  Fr= 1--      -0.669                  0.638                 -0.924
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.2016                 4.4073                 5.2845
  Dep-P Fr= 1--      0.3963                 0.4417                 0.3975
  Dep-U Fr= 1--      0.5676                 0.6128                 0.5689
 Alpha2 Fr= 1--      0.0015                 0.0279                 0.0395
 Beta2  Fr= 1--      0.0191                 0.4501                 0.5010
 AlphaG Fr= 1--     -0.0050                 0.0957                 0.1147
 Gamma2 Fr= 1--      1.6502                 0.1980                 1.3396
 Delta2 Fr= 1--     -0.1798                -0.5175                -0.0257
 Raman1 Fr= 1--       0.806                 17.629                 21.138
 ROA1   Fr= 1--     152.669                  2.446                127.779
 CID1   Fr= 1--     189.353                  0.139                  6.045
 Raman2 Fr= 1--       0.229                  5.402                  6.013
 ROA2   Fr= 1--      41.043                  8.892                 32.356
 CID2   Fr= 1--     179.364                  1.646                  5.381
 Raman3 Fr= 1--       0.458                 10.803                 12.025
 ROA3   Fr= 1--     152.669                  2.446                127.779
 CID3   Fr= 1--     333.592                  0.226                 10.626
 RC180  Fr= 1--       0.135                  0.226                  0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      7.1803                 1.4191                 1.2578
  Dep-P Fr= 1--      0.4034                 0.4256                 0.4671
  Dep-U Fr= 1--      0.5749                 0.5971                 0.6367
 Alpha2 Fr= 1--      0.0525                 0.0096                 0.0072
 Beta2  Fr= 1--      0.6880                 0.1412                 0.1335
 AlphaG Fr= 1--      0.5030                 0.0433                 0.0372
 Gamma2 Fr= 1--     -3.1315                -0.2027                 0.9707
 Delta2 Fr= 1--     -0.3899                -0.0518                 0.1723
 Raman1 Fr= 1--      28.721                  5.677                  5.031
 ROA1   Fr= 1--    -313.100                -21.114                 98.701
 CID1   Fr= 1--     -10.901                 -3.719                 19.618
 Raman2 Fr= 1--       8.256                  1.695                  1.602
 ROA2   Fr= 1--     -72.037                 -4.449                 21.918
 CID2   Fr= 1--      -8.725                 -2.626                 13.683
 Raman3 Fr= 1--      16.512                  3.389                  3.204
 ROA3   Fr= 1--    -313.100                -21.114                 98.701
 CID3   Fr= 1--     -18.962                 -6.230                 30.809
 RC180  Fr= 1--       0.150                  0.194                  0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.6978                 2.2995                 0.3486
  Dep-P Fr= 1--      0.3312                 0.4653                 0.7432
  Dep-U Fr= 1--      0.4976                 0.6351                 0.8527
 Alpha2 Fr= 1--      0.0158                 0.0132                 0.0000
 Beta2  Fr= 1--      0.1408                 0.2434                 0.0495
 AlphaG Fr= 1--     -0.0756                 0.0613                -0.0036
 Gamma2 Fr= 1--     -0.9629                 1.7305                -0.7724
 Delta2 Fr= 1--     -0.8933                 0.5224                -0.6412
 Raman1 Fr= 1--       6.791                  9.198                  1.394
 ROA1   Fr= 1--    -121.027                182.850                -94.672
 CID1   Fr= 1--     -17.822                 19.879                -67.897
 Raman2 Fr= 1--       1.689                  2.921                  0.594
 ROA2   Fr= 1--     -15.964                 37.354                -13.409
 CID2   Fr= 1--      -9.449                 12.789                -22.556
 Raman3 Fr= 1--       3.379                  5.841                  1.189
 ROA3   Fr= 1--    -121.027                182.850                -94.672
 CID3   Fr= 1--     -35.818                 31.302                -79.628
 RC180  Fr= 1--      -0.005                  0.270                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.5190                 1.0213                 5.1402
  Dep-P Fr= 1--      0.7460                 0.2324                 0.0615
  Dep-U Fr= 1--      0.8545                 0.3772                 0.1158
 Alpha2 Fr= 1--      0.0001                 0.0127                 0.0988
 Beta2  Fr= 1--      0.2163                 0.0642                 0.0992
 AlphaG Fr= 1--     -0.0030                 0.0214                -0.1652
 Gamma2 Fr= 1--     -0.3785                -0.1813                -0.4219
 Delta2 Fr= 1--      0.2310                 0.1143                 0.3305
 Raman1 Fr= 1--       6.076                  4.085                 20.561
 ROA1   Fr= 1--     -28.949                -13.745                -29.923
 CID1   Fr= 1--      -4.765                 -3.365                 -1.455
 Raman2 Fr= 1--       2.596                  0.770                  1.191
 ROA2   Fr= 1--     -10.933                 -5.265                -12.768
 CID2   Fr= 1--      -4.212                 -6.833                -10.723
 Raman3 Fr= 1--       5.192                  1.541                  2.381
 ROA3   Fr= 1--     -28.949                -13.745                -29.923
 CID3   Fr= 1--      -5.576                 -8.920                -12.565
 RC180  Fr= 1--       0.709                 -0.246                 -0.768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.8028                 0.4919                 1.0974
  Dep-P Fr= 1--      0.3559                 0.4422                 0.5587
  Dep-U Fr= 1--      0.5250                 0.6133                 0.7169
 Alpha2 Fr= 1--      0.0155                 0.0031                 0.0040
 Beta2  Fr= 1--      0.1577                 0.0503                 0.1311
 AlphaG Fr= 1--     -0.0580                -0.0258                 0.0148
 Gamma2 Fr= 1--     -0.7768                 0.3957                -1.1796
 Delta2 Fr= 1--      0.0908                -0.0190                -1.1970
 Raman1 Fr= 1--       7.211                  1.968                  4.389
 ROA1   Fr= 1--     -71.671                 37.374               -151.550
 CID1   Fr= 1--      -9.939                 18.995                -34.526
 Raman2 Fr= 1--       1.893                  0.603                  1.573
 ROA2   Fr= 1--     -19.370                  9.648                -18.735
 CID2   Fr= 1--     -10.234                 15.992                -11.908
 Raman3 Fr= 1--       3.786                  1.207                  3.147
 ROA3   Fr= 1--     -71.671                 37.374               -151.550
 CID3   Fr= 1--     -18.932                 30.975                -48.163
 RC180  Fr= 1--       0.050                  0.227                  0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      4.1445                 2.9248                20.3489
  Dep-P Fr= 1--      0.3282                 0.1308                 0.0456
  Dep-U Fr= 1--      0.4942                 0.2313                 0.0873
 Alpha2 Fr= 1--      0.0390                 0.0475                 0.4062
 Beta2  Fr= 1--      0.3414                 0.1127                 0.2960
 AlphaG Fr= 1--     -0.1823                 0.0724                -0.3164
 Gamma2 Fr= 1--     -1.2376                -0.0934                -3.0317
 Delta2 Fr= 1--      0.5022                -0.7292                -0.4495
 Raman1 Fr= 1--      16.578                 11.699                 81.396
 ROA1   Fr= 1--    -102.734                -32.304               -305.428
 CID1   Fr= 1--      -6.197                 -2.761                 -3.752
 Raman2 Fr= 1--       4.096                  1.353                  3.552
 ROA2   Fr= 1--     -33.719                  3.592                -69.165
 CID2   Fr= 1--      -8.231                  2.655                -19.473
 Raman3 Fr= 1--       8.193                  2.706                  7.104
 ROA3   Fr= 1--    -102.734                -32.304               -305.428
 CID3   Fr= 1--     -12.539                -11.939                -42.996
 RC180  Fr= 1--      -0.012                 -0.537                 -0.825
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.8615                 4.3439                 1.1758
  Dep-P Fr= 1--      0.1296                 0.2340                 0.5879
  Dep-U Fr= 1--      0.2295                 0.3792                 0.7404
 Alpha2 Fr= 1--      0.1117                 0.0538                 0.0036
 Beta2  Fr= 1--      0.2624                 0.2745                 0.1451
 AlphaG Fr= 1--      0.0444                -0.2995                -0.0091
 Gamma2 Fr= 1--     -0.4851                 1.5705                 0.6405
 Delta2 Fr= 1--     -0.2863                -0.6223                 0.4956
 Raman1 Fr= 1--      27.446                 17.376                  4.703
 ROA1   Fr= 1--     -55.733                130.854                 77.343
 CID1   Fr= 1--      -2.031                  7.531                 16.445
 Raman2 Fr= 1--       3.149                  3.294                  1.741
 ROA2   Fr= 1--      -9.352                 42.670                 11.407
 CID2   Fr= 1--      -2.970                 12.952                  6.551
 Raman3 Fr= 1--       6.298                  6.589                  3.482
 ROA3   Fr= 1--     -55.733                130.854                 77.343
 CID3   Fr= 1--      -8.849                 19.860                 22.210
 RC180  Fr= 1--      -0.541                 -0.242                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      3.1688                 3.2820                 2.6922
  Dep-P Fr= 1--      0.7495                 0.5531                 0.2462
  Dep-U Fr= 1--      0.8568                 0.7122                 0.3951
 Alpha2 Fr= 1--      0.0000                 0.0123                 0.0322
 Beta2  Fr= 1--      0.4525                 0.3896                 0.1773
 AlphaG Fr= 1--      0.0019                -0.0559                 0.0128
 Gamma2 Fr= 1--     -2.2456                -1.0333                 1.0149
 Delta2 Fr= 1--     -0.6615                -0.1796                 0.5784
 Raman1 Fr= 1--      12.675                 13.128                 10.769
 ROA1   Fr= 1--    -236.743               -104.948                115.942
 CID1   Fr= 1--     -18.677                 -7.994                 10.766
 Raman2 Fr= 1--       5.430                  4.675                  2.127
 ROA2   Fr= 1--     -48.601                -23.364                 19.731
 CID2   Fr= 1--      -8.950                 -4.997                  9.274
 Raman3 Fr= 1--      10.860                  9.350                  4.255
 ROA3   Fr= 1--    -236.743               -104.948                115.942
 CID3   Fr= 1--     -21.799                -11.224                 27.249
 RC180  Fr= 1--       0.714                  0.424                 -0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      1.9210                 3.7929                 1.1357
  Dep-P Fr= 1--      0.0493                 0.0487                 0.5937
  Dep-U Fr= 1--      0.0939                 0.0929                 0.7451
 Alpha2 Fr= 1--      0.0380                 0.0751                 0.0033
 Beta2  Fr= 1--      0.0301                 0.0588                 0.1410
 AlphaG Fr= 1--     -0.0621                 0.0178                 0.0042
 Gamma2 Fr= 1--     -0.3441                -2.2987                 2.5265
 Delta2 Fr= 1--     -0.0068                -1.5257                 1.6236
 Raman1 Fr= 1--       7.684                 15.172                  4.543
 ROA1   Fr= 1--     -33.250               -269.499                294.501
 CID1   Fr= 1--      -4.327                -17.763                 64.827
 Raman2 Fr= 1--       0.361                  0.705                  1.692
 ROA2   Fr= 1--      -8.204                -42.964                 47.647
 CID2   Fr= 1--     -22.745                -60.939                 28.153
 Raman3 Fr= 1--       0.721                  1.410                  3.385
 ROA3   Fr= 1--     -33.250               -269.499                294.501
 CID3   Fr= 1--     -46.093               -191.127                 87.006
 RC180  Fr= 1--      -0.812                 -0.814                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      0.5739                 0.9382                 0.6772
  Dep-P Fr= 1--      0.4436                 0.4943                 0.7495
  Dep-U Fr= 1--      0.6146                 0.6616                 0.8568
 Alpha2 Fr= 1--      0.0036                 0.0048                 0.0000
 Beta2  Fr= 1--      0.0588                 0.1035                 0.0967
 AlphaG Fr= 1--      0.0034                 0.0135                -0.0009
 Gamma2 Fr= 1--      0.1291                 1.5897                -0.4009
 Delta2 Fr= 1--      0.8454                 0.0795                 0.1745
 Raman1 Fr= 1--       2.296                  3.753                  2.709
 ROA1   Fr= 1--      39.444                155.151                -32.900
 CID1   Fr= 1--      17.183                 41.341                -12.145
 Raman2 Fr= 1--       0.705                  1.241                  1.161
 ROA2   Fr= 1--      -3.666                 37.516                -11.016
 CID2   Fr= 1--      -5.196                 30.219                 -9.492
 Raman3 Fr= 1--       1.411                  2.483                  2.321
 ROA3   Fr= 1--      39.444                155.151                -32.900
 CID3   Fr= 1--      27.958                 62.487                -14.174
 RC180  Fr= 1--       0.229                  0.323                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.4774                 1.3178                 0.3961
  Dep-P Fr= 1--      0.4630                 0.2797                 0.4114
  Dep-U Fr= 1--      0.6329                 0.4371                 0.5830
 Alpha2 Fr= 1--      0.0028                 0.0143                 0.0028
 Beta2  Fr= 1--      0.0504                 0.0960                 0.0385
 AlphaG Fr= 1--      0.0470                 0.0677                 0.0090
 Gamma2 Fr= 1--     -0.2694                 0.0731                -0.4816
 Delta2 Fr= 1--      0.2050                -0.4736                -0.0344
 Raman1 Fr= 1--       1.909                  5.271                  1.584
 ROA1   Fr= 1--     -19.305                 -8.134                -47.339
 CID1   Fr= 1--     -10.111                 -1.543                -29.876
 Raman2 Fr= 1--       0.604                  1.152                  0.462
 ROA2   Fr= 1--      -8.106                  5.544                -11.284
 CID2   Fr= 1--     -13.415                  4.811                -24.430
 Raman3 Fr= 1--       1.208                  2.304                  0.924
 ROA3   Fr= 1--     -19.305                 -8.134                -47.339
 CID3   Fr= 1--     -15.975                 -3.530                -51.246
 RC180  Fr= 1--       0.266                 -0.126                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.7037                 2.7692                 4.5785
  Dep-P Fr= 1--      0.0683                 0.2583                 0.7089
  Dep-U Fr= 1--      0.1279                 0.4106                 0.8296
 Alpha2 Fr= 1--      0.0133                 0.0321                 0.0033
 Beta2  Fr= 1--      0.0150                 0.1895                 0.6331
 AlphaG Fr= 1--      0.0203                -0.0568                -0.0263
 Gamma2 Fr= 1--      0.3392                 1.6724                 4.6103
 Delta2 Fr= 1--      0.0505                -0.5679                 1.6134
 Raman1 Fr= 1--       2.815                 11.077                 18.314
 ROA1   Fr= 1--      34.178                142.375                494.212
 CID1   Fr= 1--      12.142                 12.854                 26.986
 Raman2 Fr= 1--       0.180                  2.274                  7.597
 ROA2   Fr= 1--       7.736                 44.680                 97.739
 CID2   Fr= 1--      42.970                 19.650                 12.866
 Raman3 Fr= 1--       0.360                  4.548                 15.194
 ROA3   Fr= 1--      34.178                142.375                494.212
 CID3   Fr= 1--      94.917                 31.307                 32.527
 RC180  Fr= 1--      -0.744                 -0.179                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.9300                 1.5155                 0.9329
  Dep-P Fr= 1--      0.7283                 0.4235                 0.7474
  Dep-U Fr= 1--      0.8428                 0.5950                 0.8555
 Alpha2 Fr= 1--      0.0015                 0.0103                 0.0000
 Beta2  Fr= 1--      0.5520                 0.1503                 0.1330
 AlphaG Fr= 1--     -0.0072                -0.0225                -0.0012
 Gamma2 Fr= 1--     -1.9205                -1.9395                -0.0689
 Delta2 Fr= 1--     -1.4167                -0.6129                -0.1097
 Raman1 Fr= 1--      15.720                  6.062                  3.732
 ROA1   Fr= 1--    -229.701               -205.802                -10.121
 CID1   Fr= 1--     -14.612                -33.949                 -2.712
 Raman2 Fr= 1--       6.624                  1.803                  1.596
 ROA2   Fr= 1--     -34.757                -41.644                 -0.775
 CID2   Fr= 1--      -5.247                -23.092                 -0.486
 Raman3 Fr= 1--      13.249                  3.607                  3.192
 ROA3   Fr= 1--    -229.701               -205.802                -10.121
 CID3   Fr= 1--     -17.337                -57.058                 -3.170
 RC180  Fr= 1--       0.686                  0.190                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      3.4705                 2.3896                 1.7366
  Dep-P Fr= 1--      0.1419                 0.4430                 0.7108
  Dep-U Fr= 1--      0.2485                 0.6140                 0.8309
 Alpha2 Fr= 1--      0.0548                 0.0151                 0.0012
 Beta2  Fr= 1--      0.1437                 0.2445                 0.2405
 AlphaG Fr= 1--     -0.0282                -0.0175                 0.0215
 Gamma2 Fr= 1--      2.4853                 1.9157                -0.2775
 Delta2 Fr= 1--      0.9857                 0.2849                -1.3491
 Raman1 Fr= 1--      13.882                  9.558                  6.946
 ROA1   Fr= 1--     270.128                193.019                -69.809
 CID1   Fr= 1--      19.459                 20.194                -10.049
 Raman2 Fr= 1--       1.725                  2.934                  2.886
 ROA2   Fr= 1--      51.761                 43.697                  4.133
 CID2   Fr= 1--      30.009                 14.892                  1.432
 Raman3 Fr= 1--       3.450                  5.869                  5.772
 ROA3   Fr= 1--     270.128                193.019                -69.809
 CID3   Fr= 1--      78.305                 32.889                -12.094
 RC180  Fr= 1--      -0.503                  0.228                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.3083                 3.9378                 0.7684
  Dep-P Fr= 1--      0.7129                 0.6247                 0.3850
  Dep-U Fr= 1--      0.8324                 0.7690                 0.5560
 Alpha2 Fr= 1--      0.0008                 0.0090                 0.0060
 Beta2  Fr= 1--      0.1815                 0.5047                 0.0712
 AlphaG Fr= 1--      0.0035                -0.0527                -0.0259
 Gamma2 Fr= 1--      2.7930                -3.3609                -0.3119
 Delta2 Fr= 1--      1.9492                -0.8416                -0.0079
 Raman1 Fr= 1--       5.233                 15.751                  3.074
 ROA1   Fr= 1--     330.504               -349.577                -30.191
 CID1   Fr= 1--      63.153                -22.194                 -9.822
 Raman2 Fr= 1--       2.178                  6.056                  0.854
 ROA2   Fr= 1--      51.439                -73.929                 -7.421
 CID2   Fr= 1--      23.616                -12.207                 -8.685
 Raman3 Fr= 1--       4.356                 12.113                  1.709
 ROA3   Fr= 1--     330.504               -349.577                -30.191
 CID3   Fr= 1--      75.869                -28.860                -17.667
 RC180  Fr= 1--       0.665                  0.538                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      1.5292                 0.5448                 1.6329
  Dep-P Fr= 1--      0.0495                 0.6282                 0.6598
  Dep-U Fr= 1--      0.0943                 0.7716                 0.7950
 Alpha2 Fr= 1--      0.0302                 0.0012                 0.0026
 Beta2  Fr= 1--      0.0240                 0.0701                 0.2164
 AlphaG Fr= 1--      0.0585                 0.0035                -0.0056
 Gamma2 Fr= 1--     -0.3960                -1.2017                 0.7475
 Delta2 Fr= 1--     -0.3357                -0.6564                 0.4852
 Raman1 Fr= 1--       6.117                  2.179                  6.532
 ROA1   Fr= 1--     -48.757               -136.367                 87.282
 CID1   Fr= 1--      -7.971                -62.576                 13.363
 Raman2 Fr= 1--       0.288                  0.841                  2.596
 ROA2   Fr= 1--      -6.818                -23.589                 14.057
 CID2   Fr= 1--     -23.649                -28.056                  5.414
 Raman3 Fr= 1--       0.577                  1.682                  5.193
 ROA3   Fr= 1--     -48.757               -136.367                 87.282
 CID3   Fr= 1--     -84.562                -81.096                 16.809
 RC180  Fr= 1--      -0.811                  0.543                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.3321                 1.1757                 0.6667
  Dep-P Fr= 1--      0.6284                 0.4495                 0.7156
  Dep-U Fr= 1--      0.7718                 0.6203                 0.8342
 Alpha2 Fr= 1--      0.0007                 0.0072                 0.0004
 Beta2  Fr= 1--      0.0427                 0.1215                 0.0927
 AlphaG Fr= 1--      0.0135                -0.0032                 0.0041
 Gamma2 Fr= 1--     -1.7229                -0.7004                 0.1827
 Delta2 Fr= 1--     -0.3055                 0.4493                 0.5238
 Raman1 Fr= 1--       1.328                  4.703                  2.667
 ROA1   Fr= 1--    -175.171                -52.862                 34.296
 CID1   Fr= 1--    -131.879                -11.241                 12.860
 Raman2 Fr= 1--       0.513                  1.458                  1.112
 ROA2   Fr= 1--     -38.904                -20.404                  0.194
 CID2   Fr= 1--     -75.900                -13.991                  0.174
 Raman3 Fr= 1--       1.025                  2.917                  2.225
 ROA3   Fr= 1--    -175.171                -52.862                 34.296
 CID3   Fr= 1--    -170.874                -18.123                 15.416
 RC180  Fr= 1--       0.544                  0.241                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      3.8254                 0.8808                 1.7543
  Dep-P Fr= 1--      0.1174                 0.7479                 0.3074
  Dep-U Fr= 1--      0.2102                 0.8558                 0.4703
 Alpha2 Fr= 1--      0.0642                 0.0000                 0.0176
 Beta2  Fr= 1--      0.1340                 0.1256                 0.1375
 AlphaG Fr= 1--     -0.0256                -0.0011                -0.0181
 Gamma2 Fr= 1--     -3.9470                 2.9711                -1.9175
 Delta2 Fr= 1--     -2.4637                 1.6705                -0.9570
 Raman1 Fr= 1--      15.301                  3.523                  7.017
 ROA1   Fr= 1--    -457.754                338.683               -214.705
 CID1   Fr= 1--     -29.916                 96.132                -30.598
 Raman2 Fr= 1--       1.608                  1.508                  1.650
 ROA2   Fr= 1--     -75.019                 57.942                -38.364
 CID2   Fr= 1--     -46.651                 38.435                -23.252
 Raman3 Fr= 1--       3.216                  3.015                  3.300
 ROA3   Fr= 1--    -457.754                338.683               -214.705
 CID3   Fr= 1--    -142.331                112.331                -65.066
 RC180  Fr= 1--      -0.580                  0.712                 -0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      1.2085                 6.9951                 0.8480
  Dep-P Fr= 1--      0.4923                 0.3718                 0.7463
  Dep-U Fr= 1--      0.6598                 0.5421                 0.8547
 Alpha2 Fr= 1--      0.0062                 0.0571                 0.0001
 Beta2  Fr= 1--      0.1329                 0.6320                 0.1208
 AlphaG Fr= 1--     -0.0112                 0.0588                -0.0047
 Gamma2 Fr= 1--     -1.4707                 5.3587                 1.8723
 Delta2 Fr= 1--     -0.7800                -1.1219                 0.7587
 Raman1 Fr= 1--       4.834                 27.980                  3.392
 ROA1   Fr= 1--    -166.150                478.531                204.018
 CID1   Fr= 1--     -34.371                 17.102                 60.150
 Raman2 Fr= 1--       1.595                  7.583                  1.449
 ROA2   Fr= 1--     -29.057                137.583                 38.866
 CID2   Fr= 1--     -18.221                 18.143                 26.814
 Raman3 Fr= 1--       3.189                 15.167                  2.899
 ROA3   Fr= 1--    -166.150                478.531                204.018
 CID3   Fr= 1--     -52.094                 31.551                 70.376
 RC180  Fr= 1--       0.320                  0.084                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      1.7267                12.6066                 9.1472
  Dep-P Fr= 1--      0.6756                 0.1815                 0.7150
  Dep-U Fr= 1--      0.8064                 0.3072                 0.8338
 Alpha2 Fr= 1--      0.0023                 0.1797                 0.0055
 Beta2  Fr= 1--      0.2321                 0.6456                 1.2711
 AlphaG Fr= 1--     -0.0464                 0.2188                 0.0110
 Gamma2 Fr= 1--     -2.2398                 9.9084                -6.9328
 Delta2 Fr= 1--     -0.9517                 3.4966                -3.3884
 Raman1 Fr= 1--       6.907                 50.426                 36.589
 ROA1   Fr= 1--    -245.473               1063.096               -773.972
 CID1   Fr= 1--     -35.541                 21.082                -21.153
 Raman2 Fr= 1--       2.785                  7.747                 15.254
 ROA2   Fr= 1--     -46.142                209.828               -139.279
 CID2   Fr= 1--     -16.569                 27.086                 -9.131
 Raman3 Fr= 1--       5.570                 15.493                 30.508
 ROA3   Fr= 1--    -245.473               1063.096               -773.972
 CID3   Fr= 1--     -44.072                 68.616                -25.370
 RC180  Fr= 1--       0.613                 -0.386                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     10.2594                17.2331                 4.4397
  Dep-P Fr= 1--      0.2303                 0.0635                 0.3864
  Dep-U Fr= 1--      0.3743                 0.1194                 0.5574
 Alpha2 Fr= 1--      0.1284                 0.3296                 0.0345
 Beta2  Fr= 1--      0.6401                 0.3430                 0.4125
 AlphaG Fr= 1--      0.1758                 0.5840                -0.1362
 Gamma2 Fr= 1--     -2.9745                 1.9822                 0.8936
 Delta2 Fr= 1--     -0.2526                -0.9512                -2.4048
 Raman1 Fr= 1--      41.037                 68.932                 17.759
 ROA1   Fr= 1--    -293.636                159.853                  8.832
 CID1   Fr= 1--      -7.155                  2.319                  0.497
 Raman2 Fr= 1--       7.681                  4.116                  4.950
 ROA2   Fr= 1--     -69.368                 55.182                 40.685
 CID2   Fr= 1--      -9.031                 13.407                  8.219
 Raman3 Fr= 1--      15.362                  8.232                  9.900
 ROA3   Fr= 1--    -293.636                159.853                  8.832
 CID3   Fr= 1--     -19.114                 19.419                  0.892
 RC180  Fr= 1--      -0.251                 -0.761                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.5166                 3.1448                 5.0804
  Dep-P Fr= 1--      0.6743                 0.7405                 0.6416
  Dep-U Fr= 1--      0.8055                 0.8509                 0.7816
 Alpha2 Fr= 1--      0.0020                 0.0005                 0.0099
 Beta2  Fr= 1--      0.2036                 0.4460                 0.6619
 AlphaG Fr= 1--      0.0024                 0.0162                 0.0338
 Gamma2 Fr= 1--     -1.1553                 0.8520                 5.1739
 Delta2 Fr= 1--     -0.2727                 0.6807                 3.6865
 Raman1 Fr= 1--       6.066                 12.579                 20.322
 ROA1   Fr= 1--    -119.639                103.573                614.662
 CID1   Fr= 1--     -19.722                  8.234                 30.247
 Raman2 Fr= 1--       2.443                  5.352                  7.942
 ROA2   Fr= 1--     -25.547                 15.002                 94.681
 CID2   Fr= 1--     -10.457                  2.803                 11.921
 Raman3 Fr= 1--       4.886                 10.704                 15.884
 ROA3   Fr= 1--    -119.639                103.573                614.662
 CID3   Fr= 1--     -24.486                  9.676                 38.696
 RC180  Fr= 1--       0.611                  0.702                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--      8.7286                 7.3865                 6.2844
  Dep-P Fr= 1--      0.3572                 0.3853                 0.2330
  Dep-U Fr= 1--      0.5264                 0.5563                 0.3779
 Alpha2 Fr= 1--      0.0748                 0.0576                 0.0781
 Beta2  Fr= 1--      0.7658                 0.6848                 0.3958
 AlphaG Fr= 1--      0.0136                 0.0682                -0.0686
 Gamma2 Fr= 1--     -2.4162                -2.0840                -2.2758
 Delta2 Fr= 1--     -1.1388                -1.6129                -1.6122
 Raman1 Fr= 1--      34.914                 29.546                 25.138
 ROA1   Fr= 1--    -268.396               -251.678               -270.066
 CID1   Fr= 1--      -7.687                 -8.518                -10.743
 Raman2 Fr= 1--       9.190                  8.218                  4.749
 ROA2   Fr= 1--     -48.878                -37.113                -41.721
 CID2   Fr= 1--      -5.319                 -4.516                 -8.784
 Raman3 Fr= 1--      18.379                 16.435                  9.499
 ROA3   Fr= 1--    -268.396               -251.678               -270.066
 CID3   Fr= 1--     -14.603                -15.313                -28.431
 RC180  Fr= 1--       0.053                  0.113                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     27.3853                 2.6544                 1.1383
  Dep-P Fr= 1--      0.2383                 0.2871                 0.1441
  Dep-U Fr= 1--      0.3849                 0.4462                 0.2519
 Alpha2 Fr= 1--      0.3353                 0.0283                 0.0179
 Beta2  Fr= 1--      1.7567                 0.1974                 0.0478
 AlphaG Fr= 1--      0.0072                -0.0199                 0.0634
 Gamma2 Fr= 1--      2.8737                -0.9561                 0.9904
 Delta2 Fr= 1--     -2.2295                -0.3799                -0.0074
 Raman1 Fr= 1--     109.541                 10.618                  4.553
 ROA1   Fr= 1--     204.533               -103.942                 94.842
 CID1   Fr= 1--       1.867                 -9.790                 20.830
 Raman2 Fr= 1--      21.080                  2.369                  0.573
 ROA2   Fr= 1--      86.805                -19.907                 23.829
 CID2   Fr= 1--       4.118                 -8.404                 41.555
 Raman3 Fr= 1--      42.161                  4.737                  1.147
 ROA3   Fr= 1--     204.533               -103.942                 94.842
 CID3   Fr= 1--       4.851                -21.942                 82.698
 RC180  Fr= 1--      -0.230                 -0.108                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      5.2816                 5.8280                 8.7674
  Dep-P Fr= 1--      0.2076                 0.1391                 0.2680
  Dep-U Fr= 1--      0.3439                 0.2442                 0.4227
 Alpha2 Fr= 1--      0.0703                 0.0926                 0.0987
 Beta2  Fr= 1--      0.3027                 0.2372                 0.6177
 AlphaG Fr= 1--     -0.1587                -0.2187                -0.1412
 Gamma2 Fr= 1--      0.2575                 1.7134                -2.9486
 Delta2 Fr= 1--      1.0306                 0.5535                -2.6724
 Raman1 Fr= 1--      21.126                 23.312                 35.070
 ROA1   Fr= 1--      57.696                182.193               -368.581
 CID1   Fr= 1--       2.731                  7.815                -10.510
 Raman2 Fr= 1--       3.633                  2.847                  7.413
 ROA2   Fr= 1--      -2.066                 36.693                -49.388
 CID2   Fr= 1--      -0.569                 12.890                 -6.663
 Raman3 Fr= 1--       7.265                  5.693                 14.825
 ROA3   Fr= 1--      57.696                182.193               -368.581
 CID3   Fr= 1--       7.942                 32.001                -24.861
 RC180  Fr= 1--      -0.312                 -0.512                 -0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      4.4358                22.7544                19.4441
  Dep-P Fr= 1--      0.7492                 0.3768                 0.3707
  Dep-U Fr= 1--      0.8566                 0.5473                 0.5409
 Alpha2 Fr= 1--      0.0001                 0.1828                 0.1594
 Beta2  Fr= 1--      0.6333                 2.0757                 1.7528
 AlphaG Fr= 1--     -0.0025                 0.2115                -0.0342
 Gamma2 Fr= 1--      0.8760               -11.8885                -0.7174
 Delta2 Fr= 1--      3.5930                -4.0379                -1.5888
 Raman1 Fr= 1--      17.743                 91.018                 77.777
 ROA1   Fr= 1--     199.067              -1270.507               -119.712
 CID1   Fr= 1--      11.219                -13.959                 -1.539
 Raman2 Fr= 1--       7.600                 24.909                 21.034
 ROA2   Fr= 1--      -7.721               -253.020                 -4.507
 CID2   Fr= 1--      -1.016                -10.158                 -0.214
 Raman3 Fr= 1--      15.199                 49.818                 42.068
 ROA3   Fr= 1--     199.067              -1270.507               -119.712
 CID3   Fr= 1--      13.097                -25.503                 -2.846
 RC180  Fr= 1--       0.713                  0.095                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.3417                 7.0575                 6.1147
  Dep-P Fr= 1--      0.7144                 0.6948                 0.6937
  Dep-U Fr= 1--      0.8334                 0.8199                 0.8191
 Alpha2 Fr= 1--      0.0045                 0.0068                 0.0060
 Beta2  Fr= 1--      1.0198                 0.9644                 0.8348
 AlphaG Fr= 1--     -0.0772                -0.0835                -0.0289
 Gamma2 Fr= 1--      2.7328                -3.7772                 0.5158
 Delta2 Fr= 1--      1.9933                -0.0976                -0.6791
 Raman1 Fr= 1--      29.367                 28.230                 24.459
 ROA1   Fr= 1--     326.133               -365.738                 27.789
 CID1   Fr= 1--      11.105                -12.956                  1.136
 Raman2 Fr= 1--      12.238                 11.573                 10.017
 ROA2   Fr= 1--      49.640                -89.873                 17.813
 CID2   Fr= 1--       4.056                 -7.766                  1.778
 Raman3 Fr= 1--      24.475                 23.146                 20.035
 ROA3   Fr= 1--     326.133               -365.738                 27.789
 CID3   Fr= 1--      13.325                -15.802                  1.387
 RC180  Fr= 1--       0.667                  0.640                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      7.3123                16.8564                23.6825
  Dep-P Fr= 1--      0.7447                 0.5393                 0.1253
  Dep-U Fr= 1--      0.8537                 0.7007                 0.2226
 Alpha2 Fr= 1--      0.0007                 0.0684                 0.3896
 Beta2  Fr= 1--      1.0404                 1.9685                 0.8788
 AlphaG Fr= 1--      0.0010                -0.0585                -0.1826
 Gamma2 Fr= 1--     13.1293               -18.4709                 7.2566
 Delta2 Fr= 1--      6.6450                -5.9065                 3.3629
 Raman1 Fr= 1--      29.249                 67.425                 94.730
 ROA1   Fr= 1--    1473.051              -1962.214                804.243
 CID1   Fr= 1--      50.362                -29.102                  8.490
 Raman2 Fr= 1--      12.485                 23.623                 10.546
 ROA2   Fr= 1--     261.943               -396.050                147.254
 CID2   Fr= 1--      20.980                -16.766                 13.964
 Raman3 Fr= 1--      24.970                 47.245                 21.091
 ROA3   Fr= 1--    1473.051              -1962.214                804.243
 CID3   Fr= 1--      58.992                -41.533                 38.132
 RC180  Fr= 1--       0.707                  0.401                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      7.1480                 2.2612                 3.0515
  Dep-P Fr= 1--      0.4482                 0.1904                 0.5621
  Dep-U Fr= 1--      0.6190                 0.3199                 0.7196
 Alpha2 Fr= 1--      0.0441                 0.0315                 0.0109
 Beta2  Fr= 1--      0.7374                 0.1206                 0.3660
 AlphaG Fr= 1--      0.0414                -0.0257                -0.0800
 Gamma2 Fr= 1--     -0.0529                 0.6885                -2.3693
 Delta2 Fr= 1--      2.7056                -0.5364                -0.8155
 Raman1 Fr= 1--      28.592                  9.045                 12.206
 ROA1   Fr= 1--      81.504                 48.928               -253.549
 CID1   Fr= 1--       2.851                  5.410                -20.773
 Raman2 Fr= 1--       8.849                  1.447                  4.392
 ROA2   Fr= 1--     -22.914                 20.814                -50.339
 CID2   Fr= 1--      -2.589                 14.386                -11.462
 Raman3 Fr= 1--      17.698                  2.894                  8.784
 ROA3   Fr= 1--      81.504                 48.928               -253.549
 CID3   Fr= 1--       4.605                 16.909                -28.865
 RC180  Fr= 1--       0.238                 -0.360                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     15.5579                 2.4708                15.5055
  Dep-P Fr= 1--      0.6810                 0.7407                 0.7270
  Dep-U Fr= 1--      0.8102                 0.8510                 0.8419
 Alpha2 Fr= 1--      0.0189                 0.0004                 0.0061
 Beta2  Fr= 1--      2.1009                 0.3505                 2.1757
 AlphaG Fr= 1--      0.1351                 0.0001                 0.0672
 Gamma2 Fr= 1--      8.7160                 4.8110                -6.3265
 Delta2 Fr= 1--      5.2359                 1.7920                -3.9935
 Raman1 Fr= 1--      62.232                  9.883                 62.022
 ROA1   Fr= 1--    1004.283                519.204               -735.140
 CID1   Fr= 1--      16.138                 52.534                -11.853
 Raman2 Fr= 1--      25.211                  4.206                 26.109
 ROA2   Fr= 1--     167.296                101.129               -119.888
 CID2   Fr= 1--       6.636                 24.047                 -4.592
 Raman3 Fr= 1--      50.421                  8.411                 52.218
 ROA3   Fr= 1--    1004.283                519.204               -735.140
 CID3   Fr= 1--      19.918                 61.729                -14.078
 RC180  Fr= 1--       0.620                  0.702                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    188.2537               206.8376               151.3861
  Dep-P Fr= 1--      0.2155                 0.2421                 0.1714
  Dep-U Fr= 1--      0.3546                 0.3898                 0.2927
 Alpha2 Fr= 1--      2.4526                 2.5063                 2.2154
 Beta2  Fr= 1--     11.1264                13.4364                 7.3848
 AlphaG Fr= 1--     -3.0128                 1.8888                -0.4983
 Gamma2 Fr= 1--     -7.6152                 1.9817                -5.1326
 Delta2 Fr= 1--      9.2793                -8.5267                 0.1323
 Raman1 Fr= 1--     753.015                827.350                605.544
 ROA1   Fr= 1--    -434.123                -82.613               -488.499
 CID1   Fr= 1--      -0.577                 -0.100                 -0.807
 Raman2 Fr= 1--     133.517                161.237                 88.617
 ROA2   Fr= 1--    -256.999                115.774               -124.242
 CID2   Fr= 1--      -1.925                  0.718                 -1.402
 Raman3 Fr= 1--     267.033                322.473                177.235
 ROA3   Fr= 1--    -434.123                -82.613               -488.499
 CID3   Fr= 1--      -1.626                 -0.256                 -2.756
 RC180  Fr= 1--      -0.291                 -0.220                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    188.7251                26.7642                70.6282
  Dep-P Fr= 1--      0.1186                 0.1183                 0.6906
  Dep-U Fr= 1--      0.2121                 0.2116                 0.8170
 Alpha2 Fr= 1--      3.1561                 0.4479                 0.0735
 Beta2  Fr= 1--      6.6718                 0.9441                 9.6174
 AlphaG Fr= 1--      0.3504                -0.3779                 0.1040
 Gamma2 Fr= 1--      0.9524                -9.0213                36.9793
 Delta2 Fr= 1--     -3.9968                 0.9023                 0.4267
 Raman1 Fr= 1--     754.900                107.057                282.513
 ROA1   Fr= 1--     -36.469               -837.172               3563.671
 CID1   Fr= 1--      -0.048                 -7.820                 12.614
 Raman2 Fr= 1--      80.062                 11.329                115.409
 ROA2   Fr= 1--      54.831               -223.729                884.090
 CID2   Fr= 1--       0.685                -19.749                  7.661
 Raman3 Fr= 1--     160.124                 22.658                230.817
 ROA3   Fr= 1--     -36.469               -837.172               3563.671
 CID3   Fr= 1--      -0.228                -36.949                 15.439
 RC180  Fr= 1--      -0.576                 -0.577                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    357.3085               150.8853                96.6561
  Dep-P Fr= 1--      0.1351                 0.0319                 0.7433
  Dep-U Fr= 1--      0.2381                 0.0618                 0.8528
 Alpha2 Fr= 1--      5.7349                 3.1113                 0.0110
 Beta2  Fr= 1--     14.1771                 1.5537                13.7373
 AlphaG Fr= 1--      3.9954                 2.3719                -0.1878
 Gamma2 Fr= 1--     -3.7046                -8.8354                18.0322
 Delta2 Fr= 1--      6.5614               -11.3817                 2.5933
 Raman1 Fr= 1--    1429.234                603.541                386.624
 ROA1   Fr= 1--    -145.680              -1212.413               1814.079
 CID1   Fr= 1--      -0.102                 -2.009                  4.692
 Raman2 Fr= 1--     170.125                 18.644                164.847
 ROA2   Fr= 1--    -141.403               -120.997                412.027
 CID2   Fr= 1--      -0.831                 -6.490                  2.499
 Raman3 Fr= 1--     340.251                 37.288                329.695
 ROA3   Fr= 1--    -145.680              -1212.413               1814.079
 CID3   Fr= 1--      -0.428                -32.515                  5.502
 RC180  Fr= 1--      -0.524                 -0.876                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    138.5813                87.4032                26.3246
  Dep-P Fr= 1--      0.2939                 0.2145                 0.2555
  Dep-U Fr= 1--      0.4543                 0.3532                 0.4070
 Alpha2 Fr= 1--      1.4475                 1.1420                 0.3072
 Beta2  Fr= 1--     10.4918                 5.1449                 1.7857
 AlphaG Fr= 1--     -0.2800                -2.0490                -0.1031
 Gamma2 Fr= 1--    -30.7998               -12.7180                 2.0279
 Delta2 Fr= 1--     -3.2876                -2.4766                 3.2594
 Raman1 Fr= 1--     554.325                349.613                105.298
 ROA1   Fr= 1--   -3061.984              -1300.179                298.978
 CID1   Fr= 1--      -5.524                 -3.719                  2.839
 Raman2 Fr= 1--     125.901                 61.738                 21.429
 ROA2   Fr= 1--    -712.894               -285.419                 22.593
 CID2   Fr= 1--      -5.662                 -4.623                  1.054
 Raman3 Fr= 1--     251.802                123.477                 42.858
 ROA3   Fr= 1--   -3061.984              -1300.179                298.978
 CID3   Fr= 1--     -12.160                -10.530                  6.976
 RC180  Fr= 1--      -0.091                 -0.294                 -0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    256.0877               244.9149               145.5216
  Dep-P Fr= 1--      0.1875                 0.2767                 0.4617
  Dep-U Fr= 1--      0.3157                 0.4335                 0.6317
 Alpha2 Fr= 1--      3.5946                 2.6901                 0.8504
 Beta2  Fr= 1--     13.4755                17.6943                15.3220
 AlphaG Fr= 1--      1.0287                 0.1439                 0.3045
 Gamma2 Fr= 1--     31.5924                34.4219               -37.7260
 Delta2 Fr= 1--     16.7545                12.0957               -24.1078
 Raman1 Fr= 1--    1024.351                979.660                582.086
 ROA1   Fr= 1--    3569.014               3691.563              -4393.148
 CID1   Fr= 1--       3.484                  3.768                 -7.547
 Raman2 Fr= 1--     161.706                212.332                183.864
 ROA2   Fr= 1--     624.181                729.360               -712.562
 CID2   Fr= 1--       3.860                  3.435                 -3.875
 Raman3 Fr= 1--     323.412                424.663                367.728
 ROA3   Fr= 1--    3569.014               3691.563              -4393.148
 CID3   Fr= 1--      11.036                  8.693                -11.947
 RC180  Fr= 1--      -0.369                 -0.133                  0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     94.0983                76.7063                49.0444
  Dep-P Fr= 1--      0.1808                 0.3853                 0.7063
  Dep-U Fr= 1--      0.3062                 0.5563                 0.8279
 Alpha2 Fr= 1--      1.3441                 0.5983                 0.0372
 Beta2  Fr= 1--      4.8021                 7.1118                 6.7673
 AlphaG Fr= 1--     -0.6134                 1.2396                -0.0097
 Gamma2 Fr= 1--    -17.1775                -4.9169               -16.1001
 Delta2 Fr= 1--      0.2230               -16.3395                -8.7474
 Raman1 Fr= 1--     376.393                306.825                196.178
 ROA1   Fr= 1--   -1641.898               -994.884              -1825.529
 CID1   Fr= 1--      -4.362                 -3.243                 -9.305
 Raman2 Fr= 1--      57.625                 85.342                 81.208
 ROA2   Fr= 1--    -414.043                 12.711               -316.424
 CID2   Fr= 1--      -7.185                  0.149                 -3.896
 Raman3 Fr= 1--     115.251                170.683                162.416
 ROA3   Fr= 1--   -1641.898               -994.884              -1825.529
 CID3   Fr= 1--     -14.246                 -5.829                -11.240
 RC180  Fr= 1--      -0.388                  0.113                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     57.4980                36.8882                40.6073
  Dep-P Fr= 1--      0.6532                 0.6687                 0.4832
  Dep-U Fr= 1--      0.7903                 0.8014                 0.6515
 Alpha2 Fr= 1--      0.0997                 0.0533                 0.2165
 Beta2  Fr= 1--      7.5730                 4.9273                 4.4095
 AlphaG Fr= 1--      0.0011                 0.0161                -0.0435
 Gamma2 Fr= 1--     23.8565                40.0612                 6.4796
 Delta2 Fr= 1--      9.3478                14.4578                 1.7978
 Raman1 Fr= 1--     229.992                147.553                162.429
 ROA1   Fr= 1--    2589.358               4308.528                679.569
 CID1   Fr= 1--      11.258                 29.200                  4.184
 Raman2 Fr= 1--      90.876                 59.127                 52.914
 ROA2   Fr= 1--     497.775                845.807                141.128
 CID2   Fr= 1--       5.477                 14.305                  2.667
 Raman3 Fr= 1--     181.753                118.254                105.828
 ROA3   Fr= 1--    2589.358               4308.528                679.569
 CID3   Fr= 1--      14.247                 36.434                  6.421
 RC180  Fr= 1--       0.581                  0.603                  0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     43.4681                90.5337                90.4103
  Dep-P Fr= 1--      0.5115                 0.1736                 0.1665
  Dep-U Fr= 1--      0.6768                 0.2959                 0.2855
 Alpha2 Fr= 1--      0.2032                 1.3173                 1.3400
 Beta2  Fr= 1--      4.9032                 4.4647                 4.3015
 AlphaG Fr= 1--     -0.0693                -0.2801                -0.1416
 Gamma2 Fr= 1--     -1.8040                 1.0395                 3.5424
 Delta2 Fr= 1--     -3.3128                 0.7036                 1.5370
 Raman1 Fr= 1--     173.872                362.135                361.641
 ROA1   Fr= 1--    -279.190                122.306                389.252
 CID1   Fr= 1--      -1.606                  0.338                  1.076
 Raman2 Fr= 1--      58.838                 53.576                 51.618
 ROA2   Fr= 1--     -16.793                 19.318                 72.721
 CID2   Fr= 1--      -0.285                  0.361                  1.409
 Raman3 Fr= 1--     117.677                107.153                103.237
 ROA3   Fr= 1--    -279.190                122.306                389.252
 CID3   Fr= 1--      -2.373                  1.141                  3.770
 RC180  Fr= 1--       0.354                 -0.408                 -0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.331498D+03 -0.401097D+00 -0.267103D+01
      2  -0.401097D+00  0.265205D+03  0.375224D+00
      3  -0.267103D+01  0.375224D+00  0.246869D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.990595D+00 -0.102831D+01 -0.490991D+02
      2  -0.615422D+00 -0.137655D+02 -0.153478D+01
      3   0.789309D+02 -0.461578D+01  0.138851D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.280462D+01 -0.969905D+02 -0.745832D+01
      2   0.759912D+01  0.190290D+03  0.535265D+00
      3  -0.479449D+01 -0.932995D+02  0.692305D+01
      4   0.318749D+02  0.144231D+02 -0.315025D+02
      5  -0.137747D+02 -0.274901D+02 -0.772354D+01
      6  -0.796699D+01 -0.104077D+02  0.105268D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509177D+01  0.106103D+01  0.894868D+00  0.103228D+01 -0.186174D+01
      2   0.106103D+01 -0.596818D+00  0.958241D-03 -0.186174D+01 -0.642708D+01
      3   0.894868D+00  0.958241D-03  0.158215D+01  0.536768D+00  0.779757D+00
                 6             7             8             9            10 
      1   0.536768D+00  0.262811D+01  0.715043D+00  0.167195D+00  0.905741D+01
      2   0.779757D+00  0.715043D+00  0.727912D+00 -0.406077D+00  0.327981D+01
      3   0.713712D+00  0.167195D+00 -0.406077D+00  0.371954D+01 -0.207875D+00
                11            12            13            14            15 
      1   0.327981D+01 -0.207875D+00  0.982413D+01  0.301985D+01 -0.294621D+01
      2   0.515069D+01 -0.168334D+01  0.301985D+01  0.207607D+00  0.224576D+00
      3  -0.168334D+01  0.124107D+01 -0.294621D+01  0.224576D+00  0.190985D+01
                16            17            18            19            20 
      1  -0.577392D+01 -0.444652D+00  0.281515D+01  0.141199D+02 -0.271012D+01
      2  -0.444652D+00 -0.252685D+01  0.119370D+01 -0.271012D+01  0.262360D+01
      3   0.281515D+01  0.119370D+01 -0.189695D+01  0.490840D+01 -0.124549D+01
                21            22            23            24            25 
      1   0.490840D+01 -0.973065D+01  0.628333D+00  0.323755D+01  0.416266D+01
      2  -0.124549D+01  0.628333D+00 -0.454379D+00 -0.408790D+00  0.260522D+01
      3   0.268259D+01  0.323755D+01 -0.408790D+00 -0.652144D+00 -0.189126D+01
                26            27            28            29            30 
      1   0.260522D+01 -0.189126D+01 -0.652881D+01  0.635019D+00 -0.338217D+01
      2  -0.264509D+01 -0.486450D-01  0.635019D+00  0.661331D+00  0.114148D+01
      3  -0.486450D-01  0.361637D+00 -0.338217D+01  0.114148D+01 -0.324580D+01
                31            32            33            34            35 
      1   0.157108D+01 -0.134259D+01  0.616822D+00 -0.528816D+01  0.136267D+01
      2  -0.134259D+01  0.522612D+01 -0.396612D+00  0.136267D+01  0.633863D+00
      3   0.616822D+00 -0.396612D+00 -0.521889D+00 -0.523276D+01 -0.392353D+00
                36            37            38            39            40 
      1  -0.523276D+01 -0.723753D+01  0.463925D+01  0.949498D+00  0.559587D+01
      2  -0.392353D+00  0.463925D+01 -0.955544D+00 -0.175237D+00 -0.961140D+00
      3  -0.177614D+01  0.949498D+00 -0.175237D+00  0.262485D+01 -0.162868D+00
                41            42            43            44            45 
      1  -0.961140D+00 -0.162868D+00 -0.723137D-01 -0.113016D+00  0.355037D+01
      2  -0.211227D+01  0.816137D+00 -0.113016D+00  0.762037D+00  0.189400D+01
      3   0.816137D+00  0.190818D+01  0.355037D+01  0.189400D+01  0.593626D+00
                46            47            48            49            50 
      1   0.205492D+01 -0.351752D+01  0.569285D+00 -0.599921D+01 -0.103778D+01
      2  -0.351752D+01 -0.630301D+00  0.334090D+00 -0.103778D+01  0.238937D+01
      3   0.569285D+00  0.334090D+00 -0.369009D+01  0.461757D+00 -0.514256D+00
                51            52            53            54            55 
      1   0.461757D+00  0.218544D+01  0.467522D+00 -0.631225D+01  0.252641D+01
      2  -0.514256D+00  0.467522D+00 -0.412647D+00 -0.305031D+01  0.128214D+01
      3  -0.259711D+01 -0.631225D+01 -0.305031D+01  0.834176D+00  0.143883D+00
                56            57            58            59            60 
      1   0.128214D+01  0.143883D+00 -0.110662D+01 -0.620431D+00  0.156060D+01
      2  -0.252748D+01  0.174685D+00 -0.620431D+00  0.998542D+00 -0.882318D-01
      3   0.174685D+00  0.427481D+01  0.156060D+01 -0.882318D-01 -0.862108D+00
                61            62            63            64            65 
      1   0.412283D+01 -0.197297D+01  0.559453D+01 -0.953003D+00 -0.101364D+01
      2  -0.197297D+01  0.932691D+00  0.598999D+00 -0.101364D+01  0.488184D+00
      3   0.559453D+01  0.598999D+00  0.639331D+01  0.161141D+01  0.146349D+01
                66            67            68            69            70 
      1   0.161141D+01  0.165477D+01  0.100133D+01  0.139574D+00  0.207687D-01
      2   0.146349D+01  0.100133D+01 -0.104409D+01  0.830138D+00 -0.833610D+00
      3   0.788862D+00  0.139574D+00  0.830138D+00  0.394436D+01  0.203860D+01
                71            72            73            74            75 
      1  -0.833610D+00  0.203860D+01 -0.497592D+01  0.913776D+00 -0.991392D-01
      2   0.441772D+01  0.279093D+01  0.913776D+00 -0.167557D+01  0.310380D+01
      3   0.279093D+01  0.778126D+01 -0.991392D-01  0.310380D+01  0.271195D+00
                76            77            78            79            80 
      1   0.154090D+01  0.497888D+00 -0.128616D+00  0.455416D+00  0.228423D+01
      2   0.497888D+00  0.116787D+02  0.168068D+01  0.228423D+01  0.115644D+01
      3  -0.128616D+00  0.168068D+01  0.183880D+01 -0.727643D+00  0.207716D+00
                81            82            83            84            85 
      1  -0.727643D+00  0.579529D+00 -0.278738D+01 -0.181719D+01 -0.118367D+01
      2   0.207716D+00 -0.278738D+01 -0.457086D+01 -0.626193D+00 -0.288331D+01
      3  -0.220896D+01 -0.181719D+01 -0.626193D+00  0.171732D+01  0.219445D+00
                86            87            88            89            90 
      1  -0.288331D+01  0.219445D+00 -0.128286D+01  0.470391D-01  0.251064D+01
      2  -0.745184D+01 -0.127071D+01  0.470391D-01  0.667300D+00 -0.110159D+01
      3  -0.127071D+01 -0.162571D+00  0.251064D+01 -0.110159D+01  0.457208D+00
                91            92            93            94            95 
      1  -0.846477D+00 -0.268254D+01  0.185898D+01 -0.921422D+00  0.271064D+01
      2  -0.268254D+01  0.444373D+01 -0.735950D+00  0.271064D+01 -0.738248D+01
      3   0.185898D+01 -0.735950D+00 -0.171949D+01  0.707824D-01  0.140870D+01
                96            97            98            99           100 
      1   0.707824D-01  0.104351D+01 -0.149582D+00 -0.250567D+01  0.598080D+01
      2   0.140870D+01 -0.149582D+00 -0.569844D+00 -0.115172D+01  0.611325D+00
      3  -0.157769D+00 -0.250567D+01 -0.115172D+01 -0.436426D+00 -0.182818D-01
               101           102           103           104           105 
      1   0.611325D+00 -0.182818D-01  0.101723D+01  0.859190D-01 -0.150688D+00
      2   0.191843D+01  0.267920D+01  0.859190D-01  0.113301D+02 -0.166638D+01
      3   0.267920D+01 -0.501585D+00 -0.150688D+00 -0.166638D+01  0.178178D+01
               106           107           108           109           110 
      1   0.194528D+00  0.232826D+01  0.953999D+00 -0.889945D+01  0.376492D+01
      2   0.232826D+01 -0.119263D+01  0.626083D+00  0.376492D+01 -0.602859D+01
      3   0.953999D+00  0.626083D+00  0.224634D+01 -0.252481D+00 -0.130571D+01
               111           112           113           114           115 
      1  -0.252481D+00  0.100534D+02 -0.387658D+01 -0.191474D+01  0.631253D+01
      2  -0.130571D+01 -0.387658D+01  0.458675D+00 -0.735394D-01 -0.630373D+00
      3  -0.651754D+00 -0.191474D+01 -0.735394D-01  0.188114D+01 -0.290052D+01
               116           117           118           119           120 
      1  -0.630373D+00 -0.290052D+01 -0.147765D+02 -0.268013D+01 -0.491241D+01
      2   0.246737D+01  0.117134D+01 -0.268013D+01 -0.275280D+01 -0.115444D+01
      3   0.117134D+01  0.138998D+01 -0.491241D+01 -0.115444D+01 -0.300908D+01
               121           122           123           124           125 
      1  -0.848633D+01 -0.391363D+00  0.312436D+01 -0.441469D+01  0.255607D+01
      2  -0.391363D+00 -0.166421D+00  0.296886D+00  0.255607D+01  0.245534D+01
      3   0.312436D+01  0.296886D+00 -0.875544D+00  0.140491D+01 -0.268293D+00
               126           127           128           129           130 
      1   0.140491D+01 -0.167139D+01  0.192089D+01  0.702784D+00 -0.666021D+00
      2  -0.268293D+00  0.192089D+01  0.275710D+01  0.388632D+00  0.847290D+00
      3  -0.932925D+00  0.702784D+00  0.388632D+00 -0.401099D+01  0.154379D+01
               131           132           133           134           135 
      1   0.847290D+00  0.154379D+01 -0.443928D+01 -0.202168D+01 -0.543328D+01
      2   0.793234D+00  0.198548D+00 -0.202168D+01 -0.691850D+00  0.579447D+00
      3   0.198548D+00 -0.692553D+00 -0.543328D+01  0.579447D+00 -0.677262D+01
               136           137           138           139           140 
      1   0.767895D+00 -0.109657D+01 -0.148822D+01  0.155872D+01 -0.127468D+01
      2  -0.109657D+01 -0.144488D+00  0.128156D+01 -0.127468D+01 -0.119260D+01
      3  -0.148822D+01  0.128156D+01 -0.513507D+00 -0.187876D+00 -0.122119D+01
               141           142           143           144           145 
      1  -0.187876D+00  0.493113D-04 -0.122660D+01 -0.183580D+01  0.436072D+01
      2  -0.122119D+01 -0.122660D+01 -0.429228D+01  0.257685D+01 -0.216093D+01
      3   0.372875D+01 -0.183580D+01  0.257685D+01 -0.784315D+01 -0.850093D+00
               146           147           148           149           150 
      1  -0.216093D+01 -0.850093D+00 -0.475299D+01  0.613230D+01 -0.978736D+00
      2   0.327113D+01 -0.149256D+01  0.613230D+01 -0.525408D+01 -0.397769D+00
      3  -0.149256D+01 -0.117567D+01 -0.978736D+00 -0.397769D+00 -0.134799D+01
               151           152           153           154           155 
      1  -0.151981D+01 -0.277156D+01 -0.470329D+00  0.997045D+00 -0.263399D+01
      2  -0.277156D+01  0.112674D+00 -0.206573D+01 -0.263399D+01 -0.352578D+00
      3  -0.470329D+00 -0.206573D+01 -0.168926D+01 -0.230906D+01  0.336796D+01
               156           157           158           159           160 
      1  -0.230906D+01 -0.444634D+01 -0.396828D+00  0.431940D+01 -0.248303D+01
      2   0.336796D+01 -0.396828D+00  0.641333D+00 -0.144576D+01  0.409879D+01
      3   0.177177D+01  0.431940D+01 -0.144576D+01  0.525767D+00  0.193829D+01
               161           162           163           164           165 
      1   0.409879D+01  0.193829D+01  0.468530D+01  0.303220D+01  0.561974D+00
      2  -0.150653D+01  0.979230D+00  0.303220D+01  0.152362D+01 -0.288116D+01
      3   0.979230D+00 -0.140210D+01  0.561974D+00 -0.288116D+01 -0.357073D+00
               166           167           168           169           170 
      1   0.522172D+01  0.262888D+01 -0.427520D+01  0.701557D+00 -0.439466D+01
      2   0.262888D+01 -0.466193D+00  0.859266D+00 -0.439466D+01  0.656444D+00
      3  -0.427520D+01  0.859266D+00 -0.167970D+01  0.239029D+00 -0.195779D+01
               171           172           173           174           175 
      1   0.239029D+00  0.356219D+01  0.204844D+00  0.629800D+00  0.253687D+01
      2  -0.195779D+01  0.204844D+00  0.413010D+00  0.239270D+01  0.233758D+01
      3   0.502683D+00  0.629800D+00  0.239270D+01  0.191882D+01  0.285411D+01
               176           177           178           179           180 
      1   0.233758D+01  0.285411D+01 -0.225888D-01  0.239254D+01  0.327503D+01
      2   0.320515D+01 -0.402283D+00  0.239254D+01 -0.804167D+00  0.295293D+01
      3  -0.402283D+00  0.225214D+01  0.327503D+01  0.295293D+01  0.274821D+01
               181           182           183           184           185 
      1  -0.223463D-01 -0.489273D+01  0.545742D-01 -0.285872D-01 -0.396676D+00
      2  -0.489273D+01 -0.232002D+00 -0.143014D+01 -0.396676D+00 -0.941112D+01
      3   0.545742D-01 -0.143014D+01  0.249949D+00 -0.471617D+00  0.433226D+00
               186           187           188           189           190 
      1  -0.471617D+00 -0.261163D+00 -0.213594D+01  0.252703D+00  0.853871D+01
      2   0.433226D+00 -0.213594D+01  0.149661D+00 -0.361056D+01 -0.165574D+01
      3  -0.186979D+01  0.252703D+00 -0.361056D+01  0.225027D+00  0.144828D+00
               191           192           193           194           195 
      1  -0.165574D+01  0.144828D+00 -0.466550D+01  0.126979D+01 -0.102848D+01
      2   0.566603D+00  0.469971D+00  0.126979D+01 -0.981505D+01 -0.214588D+01
      3   0.469971D+00  0.143007D+01 -0.102848D+01 -0.214588D+01 -0.274040D+01
               196           197           198           199           200 
      1  -0.351623D+01  0.630122D+00 -0.288142D-01 -0.882843D+01 -0.788300D+00
      2   0.630122D+00 -0.142611D+01 -0.282629D+01 -0.788300D+00 -0.788234D+00
      3  -0.288142D-01 -0.282629D+01 -0.634560D+01 -0.138981D+00  0.335269D+00
               201           202           203           204           205 
      1  -0.138981D+00 -0.321476D+01 -0.134871D+01 -0.833264D+00  0.395574D+01
      2   0.335269D+00 -0.134871D+01 -0.852856D+01  0.224393D+01  0.515021D+00
      3  -0.181084D+01 -0.833264D+00  0.224393D+01 -0.218855D+01 -0.219699D+00
               206           207           208           209           210 
      1   0.515021D+00 -0.219699D+00 -0.216530D+01  0.898903D+00  0.237968D+01
      2   0.194795D+01 -0.250726D+01  0.898903D+00 -0.823412D+00 -0.127061D+01
      3  -0.250726D+01  0.720526D+01  0.237968D+01 -0.127061D+01 -0.402844D+01
               211           212           213           214           215 
      1   0.832029D+00 -0.561746D+00 -0.632254D+00  0.214940D+01 -0.372315D+00
      2  -0.561746D+00  0.589934D+00  0.522942D+00 -0.372315D+00  0.671041D+00
      3  -0.632254D+00  0.522942D+00 -0.489145D-01 -0.229488D+01  0.243219D+00
               216           217           218           219           220 
      1  -0.229488D+01  0.322934D+00 -0.372308D+00  0.998524D-01 -0.107237D+01
      2   0.243219D+00 -0.372308D+00  0.300915D+00 -0.201398D-01  0.855232D+00
      3   0.391600D+01  0.998524D-01 -0.201398D-01 -0.788859D+00 -0.113873D+01
               221           222           223           224           225 
      1   0.855232D+00 -0.113873D+01  0.577988D+00 -0.184425D+00  0.238309D-01
      2  -0.325690D+01  0.325711D+01 -0.184425D+00  0.222049D+01 -0.264639D+01
      3   0.325711D+01 -0.429624D+01  0.238309D-01 -0.264639D+01  0.436599D+01
               226           227           228           229           230 
      1  -0.137721D+01 -0.559717D+00 -0.958064D+00 -0.148297D+01 -0.552854D-01
      2  -0.559717D+00 -0.376036D+00  0.143418D+00 -0.552854D-01  0.893413D+00
      3  -0.958064D+00  0.143418D+00 -0.929476D+00 -0.335566D-01 -0.744000D+00
               231           232           233           234           235 
      1  -0.335566D-01 -0.336712D+01 -0.470494D+00  0.727423D+00  0.769059D+00
      2  -0.744000D+00 -0.470494D+00 -0.112594D+01  0.106156D+01  0.924007D+00
      3  -0.580112D+00  0.727423D+00  0.106156D+01 -0.546396D+01  0.370900D-01
               236           237           238           239           240 
      1   0.924007D+00  0.370900D-01  0.274480D+01  0.187804D+01 -0.667079D+00
      2   0.801271D+00 -0.883261D-01  0.187804D+01  0.882618D+01 -0.117575D+01
      3  -0.883261D-01 -0.223458D+00 -0.667079D+00 -0.117575D+01  0.809318D+00
               241           242           243           244           245 
      1   0.201883D+00 -0.584459D-02  0.137071D+00  0.594487D+01  0.208337D+01
      2  -0.584459D-02  0.151181D-02  0.970077D+00  0.208337D+01  0.122463D+01
      3   0.137071D+00  0.970077D+00 -0.449592D+00 -0.344516D+01 -0.105742D+01
               246           247           248           249           250 
      1  -0.344516D+01  0.250170D+01  0.190742D+01 -0.119034D+01 -0.571539D+01
      2  -0.105742D+01  0.190742D+01  0.119951D+01 -0.142532D+01 -0.173395D+01
      3   0.251727D+01 -0.119034D+01 -0.142532D+01  0.138366D+01  0.490296D+01
               251           252           253           254           255 
      1  -0.173395D+01  0.490296D+01  0.419046D+01  0.202539D+01  0.185413D+01
      2  -0.166629D+01  0.220100D+01  0.202539D+01  0.119188D+01  0.644987D+00
      3   0.220100D+01 -0.485004D+01  0.185413D+01  0.644987D+00  0.149246D+01
               256           257           258           259           260 
      1   0.278195D+01  0.182087D+01  0.796468D+00  0.404363D+01  0.147849D+01
      2   0.182087D+01  0.156204D+01  0.116652D+01  0.147849D+01  0.186086D+01
      3   0.796468D+00  0.116652D+01  0.116942D+01  0.295353D+01  0.169200D+01
               261           262           263           264           265 
      1   0.295353D+01 -0.220057D+01 -0.124984D+01 -0.937087D+00 -0.174059D+01
      2   0.169200D+01 -0.124984D+01 -0.510900D+00 -0.229322D+00 -0.208863D+00
      3   0.296628D+01 -0.937087D+00 -0.229322D+00 -0.121438D+01 -0.620400D-01
               266           267           268           269           270 
      1  -0.208863D+00 -0.620400D-01 -0.134710D+01 -0.190129D+00 -0.440241D+00
      2  -0.872313D+00 -0.972610D+00 -0.190129D+00 -0.160406D+01 -0.151789D+01
      3  -0.972610D+00 -0.118347D+01 -0.440241D+00 -0.151789D+01 -0.358682D+01
               271           272           273           274           275 
      1   0.131253D+02 -0.414956D+01 -0.157115D+01 -0.408134D+01  0.300727D+01
      2  -0.414956D+01  0.235241D+01  0.337262D+00  0.300727D+01 -0.184982D+01
      3  -0.157115D+01  0.337262D+00  0.762659D+00  0.560552D+00 -0.392414D+00
               276           277           278           279           280 
      1   0.560552D+00 -0.570385D+00  0.311133D+00  0.131415D+01  0.819859D+01
      2  -0.392414D+00  0.311133D+00 -0.163017D+00 -0.813950D+00 -0.128750D+01
      3  -0.593798D+00  0.131415D+01 -0.813950D+00 -0.355939D+00  0.383620D+01
               281           282           283           284           285 
      1  -0.128750D+01  0.383620D+01  0.336111D+00  0.137255D+01 -0.993830D-01
      2   0.712195D+00 -0.843150D+00  0.137255D+01 -0.902764D+00  0.881907D+00
      3  -0.843150D+00  0.302208D+01 -0.993830D-01  0.881907D+00  0.308700D+00
               286           287           288           289           290 
      1   0.694881D+01 -0.177018D+01  0.480986D+01 -0.453156D+00 -0.101407D+01
      2  -0.177018D+01  0.107218D+01 -0.103178D+01 -0.101407D+01 -0.619638D+00
      3   0.480986D+01 -0.103178D+01  0.513757D+01  0.626688D-01  0.597196D-01
               291           292           293           294           295 
      1   0.626688D-01 -0.275232D+01  0.183900D+01 -0.136214D+00  0.352602D+00
      2   0.597196D-01  0.183900D+01 -0.744707D+01  0.869434D+00 -0.266555D+00
      3   0.435862D-01 -0.136214D+00  0.869434D+00 -0.899832D+00  0.771585D+00
               296           297           298           299           300 
      1  -0.266555D+00  0.771585D+00  0.269637D+01  0.328026D+01  0.978149D+00
      2   0.150842D+00 -0.825496D+00  0.328026D+01  0.596571D+01  0.109737D+01
      3  -0.825496D+00  0.361507D+00  0.978149D+00  0.109737D+01  0.589441D+00
               301           302           303           304           305 
      1   0.222850D+01  0.305922D+01  0.673941D+00  0.530148D+00  0.672146D+00
      2   0.305922D+01  0.105424D+02  0.162806D+01  0.672146D+00  0.100160D+01
      3   0.673941D+00  0.162806D+01  0.106608D+01  0.452973D+00  0.182301D+01
               306           307           308           309           310 
      1   0.452973D+00 -0.310779D+01  0.146365D+01  0.157234D+01  0.653339D+00
      2   0.182301D+01  0.146365D+01 -0.130727D+01 -0.984092D+00 -0.766139D+00
      3   0.685314D+00  0.157234D+01 -0.984092D+00 -0.173371D+01 -0.490282D+00
               311           312           313           314           315 
      1  -0.766139D+00 -0.490282D+00  0.165730D+01 -0.101360D+01 -0.163470D+01
      2   0.182905D+01  0.123702D+01 -0.101360D+01  0.214066D+01  0.153811D+01
      3   0.123702D+01  0.857352D+00 -0.163470D+01  0.153811D+01  0.273562D+01
               316           317           318           319           320 
      1   0.333137D+01  0.134214D+01 -0.162840D+01  0.376480D+00  0.735660D+00
      2   0.134214D+01  0.125379D+01 -0.985431D+00  0.735660D+00  0.160213D+01
      3  -0.162840D+01 -0.985431D+00  0.183113D+01 -0.441172D+00 -0.117103D+01
               321           322           323           324           325 
      1  -0.441172D+00 -0.154234D+01 -0.103419D+01  0.161890D+01 -0.253080D+01
      2  -0.117103D+01 -0.103419D+01 -0.201304D+01  0.150209D+01  0.310024D+01
      3   0.777990D+00  0.161890D+01  0.150209D+01 -0.277147D+01 -0.989986D+00
               326           327           328           329           330 
      1   0.310024D+01 -0.989986D+00  0.203588D+01 -0.286940D+01  0.700546D+00
      2  -0.589648D+01  0.117894D+01 -0.286940D+01  0.105293D+02 -0.176804D+01
      3   0.117894D+01 -0.610020D+00  0.700546D+00 -0.176804D+01  0.112459D+01
               331           332           333           334           335 
      1  -0.526906D+00  0.713735D+00 -0.430999D+00  0.279566D+01  0.962652D+00
      2   0.713735D+00 -0.117364D+01  0.186886D+01  0.962652D+00  0.801209D+00
      3  -0.430999D+00  0.186886D+01 -0.761947D+00 -0.244880D+01 -0.114419D+01
               336           337           338           339           340 
      1  -0.244880D+01  0.884672D+00  0.570558D+00 -0.490723D+00 -0.224907D+01
      2  -0.114419D+01  0.570558D+00  0.582013D+00 -0.490601D+00 -0.317819D+00
      3   0.394394D+01 -0.490723D+00 -0.490601D+00 -0.234847D+00  0.226518D+01
               341           342           343           344           345 
      1  -0.317819D+00  0.226518D+01 -0.308116D+00 -0.458946D+00 -0.270123D+00
      2  -0.656761D+00  0.122670D+00 -0.458946D+00 -0.298452D+00 -0.221951D-01
      3   0.122670D+00 -0.362704D+01 -0.270123D+00 -0.221951D-01  0.811480D+00
               346           347           348           349           350 
      1  -0.108849D+01 -0.742575D+00 -0.103878D+01 -0.550519D+00 -0.160066D+00
      2  -0.742575D+00 -0.323747D+01 -0.323420D+01 -0.160066D+00 -0.230211D+01
      3  -0.103878D+01 -0.323420D+01 -0.429985D+01  0.526820D-01 -0.262466D+01
               351           352           353           354           355 
      1   0.526820D-01 -0.475956D+01  0.284940D+01  0.371486D-01  0.499043D+01
      2  -0.262466D+01  0.284940D+01 -0.311253D+01  0.333506D+00 -0.489075D+01
      3  -0.413718D+01  0.371486D-01  0.333506D+00 -0.251944D+00 -0.277938D+00
               356           357           358           359           360 
      1  -0.489075D+01 -0.277938D+00 -0.205575D+01  0.172732D+01 -0.466056D+00
      2   0.766699D+01 -0.183456D+00  0.172732D+01 -0.203668D+01  0.128331D+01
      3  -0.183456D+00  0.993440D+00 -0.466056D+00  0.128331D+01 -0.648759D+00
               361           362           363           364           365 
      1   0.227151D+01  0.639967D+00  0.876768D+00  0.132096D+01 -0.320775D+00
      2   0.639967D+00  0.562504D+00  0.751896D+00 -0.320775D+00  0.223624D+01
      3   0.876768D+00  0.751896D+00  0.101074D+01  0.113838D+00  0.139220D+01
               366           367           368           369           370 
      1   0.113838D+00  0.206836D+01  0.747247D+00  0.124283D+00 -0.793379D+01
      2   0.139220D+01  0.747247D+00  0.168763D+01  0.227363D+01  0.251905D+01
      3   0.121864D+01  0.124283D+00  0.227363D+01  0.376246D+01  0.389344D+01
               371           372           373           374           375 
      1   0.251905D+01  0.389344D+01  0.364786D+01 -0.222772D+01 -0.219511D+01
      2  -0.143154D+01 -0.168549D+01 -0.222772D+01  0.208385D+01  0.178729D+01
      3  -0.168549D+01 -0.281292D+01 -0.219511D+01  0.178729D+01  0.163908D+01
               376           377           378           379           380 
      1   0.377446D+01 -0.160627D+01 -0.365227D+01  0.210682D+01 -0.881094D+00
      2  -0.160627D+01  0.118568D+01  0.146208D+01 -0.881094D+00  0.790071D+00
      3  -0.365227D+01  0.146208D+01  0.364994D+01  0.968855D+00 -0.553605D+00
               381           382           383           384           385 
      1   0.968855D+00 -0.150884D+01  0.574664D+00 -0.595298D+00  0.143265D+01
      2  -0.553605D+00  0.574664D+00 -0.212964D+01  0.138500D+01 -0.440105D+00
      3   0.459977D+00 -0.595298D+00  0.138500D+01 -0.185485D+01 -0.255821D+00
               386           387           388           389           390 
      1  -0.440105D+00 -0.255821D+00 -0.107448D+02 -0.373159D+01  0.130237D+01
      2   0.134625D+01 -0.140373D+01 -0.373159D+01 -0.200370D+01  0.601216D+00
      3  -0.140373D+01  0.330487D+01  0.130237D+01  0.601216D+00 -0.856178D+00
               391           392           393           394           395 
      1  -0.581807D+01 -0.345538D+01  0.109544D+01  0.290086D+01  0.143893D+01
      2  -0.345538D+01 -0.268328D+01  0.337462D+00  0.143893D+01  0.574114D+00
      3   0.109544D+01  0.337462D+00 -0.486048D+00 -0.178566D+01 -0.492523D+00
               396           397           398           399           400 
      1  -0.178566D+01 -0.441128D+01  0.135461D+01 -0.189331D+01  0.299232D+01
      2  -0.492523D+00  0.135461D+01 -0.103905D+01  0.829508D+00 -0.240569D+01
      3   0.865217D+00 -0.189331D+01  0.829508D+00 -0.109074D+01  0.187461D+01
               401           402           403           404           405 
      1  -0.240569D+01  0.187461D+01 -0.354354D+01  0.160342D+01 -0.226398D+01
      2   0.256344D+01 -0.142732D+01  0.160342D+01 -0.133207D+01  0.146346D+01
      3  -0.142732D+01  0.183694D+01 -0.226398D+01  0.146346D+01 -0.293851D+01
               406           407           408           409           410 
      1   0.364360D+00 -0.104304D+01  0.105699D+01 -0.313572D+01 -0.181943D+01
      2  -0.104304D+01 -0.245937D-01 -0.134574D+00 -0.181943D+01 -0.498714D+01
      3   0.105699D+01 -0.134574D+00  0.112636D+00 -0.384361D+00  0.681344D+00
               411           412           413           414           415 
      1  -0.384361D+00  0.279830D+01 -0.528808D-01 -0.336548D+00 -0.352423D+01
      2   0.681344D+00 -0.528808D-01  0.142765D+01 -0.120331D+01 -0.142159D+01
      3  -0.948892D+00 -0.336548D+00 -0.120331D+01  0.564991D+00 -0.236798D+01
               416           417           418           419           420 
      1  -0.142159D+01 -0.236798D+01 -0.205117D+01 -0.206471D+01 -0.154880D+01
      2  -0.107517D+01 -0.136283D+01 -0.206471D+01 -0.256278D+01 -0.190196D+01
      3  -0.136283D+01 -0.192486D+01 -0.154880D+01 -0.190196D+01 -0.189472D+01
               421           422           423 
      1  -0.467736D+01 -0.238150D+01 -0.377571D+01
      2  -0.238150D+01 -0.228631D+01 -0.312995D+01
      3  -0.377571D+01 -0.312995D+01 -0.587862D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.726153D+01  0.216095D+00 -0.401157D+01  0.308388D+01  0.723471D+01
      2   0.126750D+01  0.279840D+01  0.116348D+02  0.893506D+01  0.466040D+01
      3  -0.183309D+02  0.355077D+01  0.262538D+01  0.159957D+02  0.212012D+02
                 6             7             8             9            10 
      1  -0.523411D+01  0.209542D+01  0.626185D+01 -0.124124D+02  0.398276D+01
      2   0.415402D+01 -0.949604D+01 -0.307761D+01  0.234128D+02 -0.182435D+02
      3  -0.234763D+01  0.124435D+01  0.959658D+00  0.112880D+01  0.712815D+01
                11            12            13            14            15 
      1   0.148025D+02 -0.872200D+00  0.240406D+02 -0.428556D+01 -0.404733D+01
      2  -0.132792D+02  0.211341D+01 -0.365552D+02 -0.560198D+01  0.105682D+02
      3  -0.124595D+02  0.628864D+01  0.524305D+01  0.838036D+01 -0.103528D+02
                16            17            18            19            20 
      1   0.170060D+01 -0.787095D+01  0.995891D+01 -0.673909D+01  0.112452D+02
      2   0.707139D+01  0.130847D+01 -0.178150D+02 -0.266521D+02  0.140966D+01
      3  -0.362488D+01  0.525419D+01  0.196213D+01  0.153693D+02 -0.103709D+02
                21            22            23            24            25 
      1  -0.600509D+01 -0.693079D+00 -0.346865D+00 -0.142939D+01  0.408757D+01
      2  -0.552791D+01  0.278598D+02 -0.105516D+02 -0.140985D+02 -0.319484D+02
      3   0.576024D+01 -0.947661D+00  0.156604D+01  0.115475D+02  0.406401D+01
                26            27            28            29            30 
      1  -0.627304D+01 -0.297700D+01 -0.143169D+01  0.268095D+01 -0.319294D+01
      2  -0.548457D+01  0.559177D+01 -0.169202D+00  0.155705D+01 -0.587186D+01
      3   0.146955D+02 -0.340042D+01  0.358287D+01 -0.622088D+01 -0.392347D+00
                31            32            33            34            35 
      1   0.691348D+00  0.986341D+01 -0.539211D+01 -0.859994D+01  0.144184D+01
      2  -0.290021D+01  0.445753D+01 -0.519829D+01 -0.182004D+02 -0.296315D+01
      3   0.134871D+02 -0.279280D+02 -0.101573D+01  0.298945D+00 -0.572076D+01
                36            37            38            39            40 
      1  -0.510270D+00 -0.374859D+01  0.316676D+00  0.248728D+01  0.567862D+00
      2   0.857524D+00 -0.259517D+01  0.291138D+01  0.181482D+02  0.196912D+01
      3   0.854406D+01 -0.203420D+02 -0.251251D+01  0.269882D-01  0.160073D+01
                41            42            43            44            45 
      1   0.247862D+01 -0.146186D+01  0.322800D+01  0.353680D+01 -0.225566D+01
      2   0.515213D+01  0.108376D+02  0.188610D+02  0.113935D+02  0.565159D+01
      3   0.152971D+02 -0.545350D+01 -0.132149D+01 -0.482975D+01 -0.133770D+02
                46            47            48            49            50 
      1   0.484024D+01 -0.250839D+00  0.369175D+01 -0.190051D+01 -0.346479D+01
      2   0.590853D+01 -0.131345D+01 -0.185684D+02 -0.165071D+01 -0.423161D+01
      3   0.250812D+02 -0.416057D+01 -0.167561D+01 -0.996848D+00 -0.160252D+02
                51            52            53            54            55 
      1   0.234913D+01  0.680091D+01  0.741925D+01  0.136527D+01  0.115597D+01
      2  -0.126430D+02 -0.381217D+02 -0.161038D+02  0.126660D+00 -0.886168D+01
      3   0.444731D+01  0.670090D+00  0.317291D+01  0.822697D+01  0.169262D+02
                56            57            58            59            60 
      1  -0.111455D+02  0.757601D+00 -0.993380D+01 -0.396318D+01 -0.315877D+01
      2  -0.289763D+01  0.157033D+02  0.153415D+02  0.534290D+01 -0.425610D+01
      3   0.609956D+01 -0.149989D+01  0.259527D+01  0.244492D+01  0.242775D+01
                61            62            63            64            65 
      1  -0.124266D+02  0.841332D+01 -0.488251D+01 -0.757769D+01 -0.477811D+01
      2   0.622048D+01  0.531899D+01  0.607150D+01  0.218014D+02  0.668984D+01
      3   0.260855D+01 -0.555851D+01  0.593198D+01 -0.130914D+02 -0.161027D+01
                66            67            68            69            70 
      1  -0.562802D+00  0.616308D+01 -0.989665D+01  0.270339D+01 -0.718810D+01
      2   0.410732D+01  0.920566D+00  0.391051D+01  0.705723D+01  0.124693D+01
      3  -0.726282D+00  0.473772D+00  0.596110D+01 -0.103594D+02 -0.189335D+00
                71            72            73            74            75 
      1   0.991280D+01 -0.650893D+01  0.203688D+02 -0.125723D+02  0.103377D+02
      2   0.775589D+01  0.106121D+02 -0.298104D+00 -0.271181D+01  0.240918D+01
      3  -0.617815D+01 -0.166018D+01 -0.196043D+02  0.226131D+01 -0.789644D+01
                76            77            78            79            80 
      1   0.577136D+01  0.375257D+02  0.276171D+01  0.101549D+02  0.757870D+01
      2  -0.785079D+01  0.555301D+01  0.518353D+01  0.427159D+01  0.499449D+01
      3  -0.220376D+00 -0.306615D+02 -0.525159D+01 -0.129912D+02  0.215183D+01
                81            82            83            84            85 
      1   0.132091D+02  0.260295D+01 -0.113847D+01 -0.121972D+02 -0.788348D+01
      2  -0.166328D+01 -0.271519D+01  0.392393D+01  0.593367D+01  0.165970D+01
      3  -0.127734D+02  0.658296D+01 -0.163181D+02 -0.703384D+01 -0.113159D+00
                86            87            88            89            90 
      1  -0.117152D+02 -0.482591D+01 -0.150303D+02  0.696109D+01 -0.100447D+02
      2  -0.566824D+00  0.440535D+00  0.974427D+00  0.107371D+01 -0.286296D+01
      3  -0.431073D+01  0.366934D+01 -0.651952D+01  0.662320D+00  0.145984D+02
                91            92            93            94            95 
      1  -0.260091D+01 -0.420291D+00  0.123615D+02 -0.716987D+01  0.110658D+02
      2  -0.222422D+01 -0.407032D+01  0.548632D+01 -0.649236D+00 -0.914348D+00
      3  -0.742606D+01 -0.165847D+02  0.744350D+01  0.220372D+00  0.487867D+01
                96            97            98            99           100 
      1  -0.500094D+01  0.155385D+02  0.733230D+01  0.102767D+02 -0.207665D+02
      2  -0.532219D+00 -0.130414D-01 -0.158647D+01 -0.297036D+01  0.439051D+01
      3   0.295461D+01  0.572789D+01  0.236222D+00 -0.145656D+02  0.216241D+02
               101           102           103           104           105 
      1  -0.107720D+02 -0.101205D+02  0.450866D+01 -0.368325D+02  0.380655D+01
      2   0.462774D+01  0.214435D+01  0.651897D+01  0.696202D+01 -0.458338D+01
      3   0.147409D+01  0.631121D+01 -0.140104D+00  0.303304D+02 -0.519641D+01
               106           107           108           109           110 
      1  -0.102116D+02  0.532417D+01 -0.150731D+02 -0.194575D+00  0.134773D+02
      2   0.500360D+01 -0.581997D+01  0.618346D+00 -0.182015D+02  0.106659D+02
      3   0.137072D+02  0.295946D+01  0.142497D+02 -0.711680D+01 -0.144168D+02
               111           112           113           114           115 
      1  -0.360492D+00  0.250965D+02  0.169410D+01 -0.298352D+01 -0.374706D+01
      2  -0.104276D+01  0.311710D+02 -0.930987D+01 -0.942513D+01  0.624995D+01
      3  -0.586513D+01  0.239340D+01 -0.102517D+02 -0.735872D+01  0.771584D+00
               116           117           118           119           120 
      1  -0.747043D+01 -0.989887D+01  0.944831D+01  0.114514D+02  0.558135D+01
      2  -0.101558D+01 -0.173740D+02 -0.288526D+02 -0.467824D+01 -0.524130D+01
      3   0.511936D+01 -0.161472D+01 -0.137052D+02 -0.116580D+02 -0.502200D+01
               121           122           123           124           125 
      1  -0.268996D+01  0.144006D+01 -0.244651D+01 -0.595925D+01 -0.650936D+01
      2  -0.261189D+02 -0.805578D+01  0.169272D+02 -0.308408D+02  0.711498D+01
      3   0.190112D+01  0.151953D+01  0.110822D+02 -0.181432D+01  0.145527D+02
               126           127           128           129           130 
      1   0.469006D+01 -0.512626D+01 -0.119395D+02 -0.294755D+00 -0.108432D+02
      2   0.780017D+01 -0.106401D+02  0.493746D+01  0.180289D+02 -0.138519D+02
      3   0.227975D+01 -0.135522D+02  0.715937D+01  0.138417D+01  0.369757D+01
               131           132           133           134           135 
      1   0.346510D+01 -0.368337D+01  0.142701D+02  0.757624D+01  0.552701D+01
      2   0.537610D+01  0.397049D+01  0.396803D+01 -0.606877D+01  0.645153D+01
      3  -0.210392D+01  0.163213D+01 -0.424117D+01 -0.509819D+01 -0.538664D+01
               136           137           138           139           140 
      1   0.837262D+01 -0.503852D+01  0.945703D+00  0.712888D+01  0.121417D+02
      2   0.229222D+02 -0.712845D+01  0.374814D+01 -0.166741D+01  0.399652D+01
      3   0.121683D+02 -0.181165D+01  0.476575D+00 -0.634296D+00 -0.786116D+01
               141           142           143           144           145 
      1   0.311698D+01  0.800636D+01  0.106233D+02  0.736672D+01  0.478131D+01
      2  -0.948511D+01  0.283899D+01 -0.828405D+01  0.106200D+02  0.474719D+01
      3  -0.100332D+02  0.438453D+00 -0.623776D+01  0.100052D+01  0.288890D+01
               146           147           148           149           150 
      1   0.541239D+01  0.232012D+01  0.662572D+01 -0.125702D+00  0.100367D+00
      2   0.522823D+01  0.101212D+02 -0.328735D+01  0.238393D+01  0.787221D+01
      3   0.347501D+01 -0.107481D+02  0.163648D+02 -0.621537D+01 -0.419331D+01
               151           152           153           154           155 
      1  -0.303009D+01  0.999467D+01  0.583806D+01 -0.416610D+01 -0.312190D+01
      2  -0.355684D+01  0.152825D+02  0.157537D+02  0.887227D+01 -0.134432D+02
      3  -0.116962D+02 -0.592304D+01 -0.113955D+02 -0.160304D+02 -0.666602D+01
               156           157           158           159           160 
      1   0.485383D+01 -0.552380D+01  0.142095D+01 -0.526424D+01  0.715384D+01
      2  -0.236686D+01 -0.182256D+02  0.764744D+01 -0.110748D+02 -0.850192D+01
      3   0.171711D+02 -0.486222D+01  0.433288D+01 -0.319664D+01  0.217500D+02
               161           162           163           164           165 
      1   0.448583D-02  0.276404D+01  0.746661D+00 -0.144727D+01 -0.150792D+01
      2  -0.126001D+02  0.422523D+01 -0.262373D+01  0.184773D+02  0.477090D+01
      3  -0.343125D+01  0.834559D+01  0.178696D+02  0.552327D+01 -0.176137D+02
               166           167           168           169           170 
      1  -0.192767D+01 -0.102564D+01 -0.346691D+01 -0.324074D+01  0.286091D+00
      2   0.288468D+02 -0.352279D+01  0.948889D+01 -0.293886D+01  0.105910D+02
      3   0.174637D+02 -0.368588D+01  0.552518D+01 -0.279092D+02  0.359150D+01
               171           172           173           174           175 
      1  -0.371385D+00 -0.117362D+01  0.339460D+01  0.583734D+00  0.245148D+01
      2  -0.206309D+01  0.560098D+01 -0.938718D+01 -0.483253D+01 -0.728694D+01
      3  -0.109803D+02 -0.212261D+01 -0.591422D+00  0.998305D+01  0.138344D+02
               176           177           178           179           180 
      1  -0.936871D+01  0.180786D+01  0.585803D+01  0.117420D+02  0.242376D+01
      2   0.121461D+02 -0.725133D+01 -0.208417D+02 -0.132628D+02 -0.507658D+01
      3   0.142582D+02 -0.996205D+01  0.114548D+02 -0.935636D+01  0.105681D+02
               181           182           183           184           185 
      1  -0.142561D+00  0.127093D+02  0.831996D+00 -0.256139D+02 -0.167097D+01
      2   0.471568D+02  0.110671D+01  0.295076D+02  0.322524D+01 -0.175228D+01
      3  -0.242463D+01 -0.191983D+02  0.613067D+00  0.682450D+02 -0.135011D+01
               186           187           188           189           190 
      1  -0.450930D+02 -0.426433D+00  0.238002D+02 -0.169162D+01  0.410937D+01
      2   0.731292D-01 -0.506230D+02  0.165403D+01 -0.233130D+02  0.270466D+01
      3   0.881820D+01 -0.149281D+01 -0.168863D+02 -0.683381D+00 -0.101194D+02
               191           192           193           194           195 
      1  -0.510758D+01  0.110694D+01 -0.755586D+01  0.685173D+01 -0.997451D+01
      2  -0.923947D+00  0.530658D+01 -0.525958D+00  0.889490D+00 -0.229647D+01
      3  -0.755063D+01 -0.195784D+01  0.984817D+01  0.650998D+01  0.668075D+01
               196           197           198           199           200 
      1  -0.858578D+00  0.904658D+01 -0.482293D+01 -0.467508D+01 -0.607952D+01
      2  -0.720151D+01 -0.570635D+00  0.793237D+00  0.302440D+01  0.309741D+00
      3  -0.132996D+01  0.498687D+01  0.131311D+01  0.877960D+01 -0.900611D+01
               201           202           203           204           205 
      1  -0.188160D+01 -0.806492D+01 -0.442545D+01 -0.843983D+01  0.850505D+00
      2   0.712167D+01 -0.120194D+01  0.149751D+01  0.202957D+01 -0.589698D+01
      3   0.220344D+01  0.724153D+01 -0.503863D+01  0.670804D+01  0.243700D+01
               206           207           208           209           210 
      1   0.104432D+02  0.511677D+01  0.159610D+01 -0.267943D+01  0.203108D+00
      2   0.553565D-02  0.145917D+00  0.101708D+02 -0.412195D+01 -0.874560D+01
      3   0.625794D+01 -0.785231D+00 -0.176047D+01  0.665143D-01  0.310542D+01
               211           212           213           214           215 
      1  -0.161784D+01  0.109828D+01  0.113329D+01  0.162900D+01  0.225300D+01
      2  -0.580424D+01  0.250571D+01  0.165250D+01 -0.117039D+02  0.752505D+00
      3   0.301645D+01 -0.796484D+00 -0.716734D+00  0.358430D+01  0.661521D+00
               216           217           218           219           220 
      1  -0.224044D+01 -0.622812D+00  0.185878D+01 -0.459209D+00  0.234654D+01
      2   0.919988D+01 -0.238638D+00  0.660668D+00 -0.153453D+01  0.191649D+01
      3  -0.226687D+01  0.744127D+00 -0.187138D+01 -0.216937D+00  0.747979D+00
               221           222           223           224           225 
      1  -0.832500D+01  0.536027D+01 -0.405774D-01  0.730189D+01 -0.471770D+01
      2   0.355645D+01 -0.483651D+01 -0.264765D+01 -0.507806D+01  0.748698D+01
      3   0.541991D+01 -0.565510D+01 -0.645488D+00 -0.505408D+01  0.507457D+01
               226           227           228           229           230 
      1   0.377405D+01 -0.863373D-01  0.241141D+01 -0.758679D+00  0.608159D+00
      2  -0.949205D+01  0.439747D-01 -0.646697D+01 -0.217174D+01 -0.428526D+01
      3  -0.210738D+01  0.127958D+00 -0.310772D+01 -0.176075D+01 -0.322206D+01
               231           232           233           234           235 
      1   0.187923D+01 -0.119744D+01  0.137308D+01  0.130469D+02 -0.143061D+01
      2  -0.234008D+01 -0.491330D+01  0.374894D+01 -0.250502D+02  0.229608D+01
      3   0.312619D+01 -0.469841D+01  0.179838D+01 -0.320604D+01 -0.198979D+01
               236           237           238           239           240 
      1  -0.895638D+00  0.313176D+00  0.283108D+00 -0.725642D+01 -0.310189D+01
      2   0.515755D+00 -0.269334D+00 -0.402453D+00 -0.527990D+01  0.329600D+01
      3  -0.721533D+00  0.417902D+00  0.413042D+01 -0.295825D+02  0.199377D+01
               241           242           243           244           245 
      1   0.134819D+00 -0.116336D+01  0.371221D+00  0.196216D+01 -0.769125D+00
      2  -0.546918D+00  0.350885D+01 -0.254239D+01 -0.119130D+02 -0.364439D+01
      3   0.992514D+00 -0.803181D+00 -0.340690D+01 -0.382508D+01 -0.526114D+01
               246           247           248           249           250 
      1  -0.290115D+01  0.322513D+00  0.266133D+00 -0.135882D+01 -0.496559D+01
      2   0.121154D+02 -0.377576D+01 -0.574164D+01  0.675919D+01  0.181368D+02
      3   0.124173D+01 -0.467400D+01 -0.382829D+01  0.552985D+01  0.606662D+00
               251           252           253           254           255 
      1   0.103223D+01  0.447861D+01 -0.368274D+01 -0.975680D+00 -0.244144D+01
      2   0.100012D+02 -0.219731D+02  0.106480D+02  0.417418D+01  0.985662D+01
      3   0.783891D+01 -0.508309D+01 -0.550241D+01 -0.526447D+01 -0.545687D+00
               256           257           258           259           260 
      1  -0.185466D+01 -0.181723D+01 -0.344057D+01 -0.399457D+01 -0.158321D+01
      2   0.530105D+01  0.690641D+01  0.671233D+01  0.150958D+02  0.901934D+01
      3  -0.343492D+01 -0.589683D+01 -0.526025D+01 -0.932921D+00 -0.956366D+01
               261           262           263           264           265 
      1  -0.539265D+01  0.121912D+01  0.118601D+01 -0.125299D+01  0.659225D+00
      2   0.183198D+02 -0.108721D+02 -0.349537D+01 -0.786580D+01 -0.274640D+01
      3  -0.474565D+01  0.119060D+02  0.491919D+01  0.267320D+01  0.659237D+01
               266           267           268           269           270 
      1  -0.480855D-01 -0.123577D+01 -0.117728D+00  0.207388D+01 -0.229798D+01
      2  -0.664784D+01 -0.643209D+01 -0.100099D+02 -0.865455D+01 -0.206546D+02
      3   0.598992D+01  0.610294D+01  0.429471D+01  0.891622D+01  0.952926D+01
               271           272           273           274           275 
      1   0.853656D+00 -0.196511D+01  0.138991D+01 -0.116088D+01  0.771511D+00
      2  -0.856633D+00 -0.574444D+00  0.558554D+01  0.227652D-01 -0.468296D+00
      3   0.951725D+01 -0.119546D+02 -0.348781D+00 -0.962490D+01  0.729450D+01
               276           277           278           279           280 
      1  -0.137491D+01  0.675113D+00  0.238226D+00  0.129791D+00  0.300450D+01
      2  -0.382987D+01  0.418821D+01 -0.417015D+01 -0.139207D+01  0.254571D+01
      3   0.134809D+01 -0.739050D+00  0.421079D+00  0.364226D+01 -0.469226D+01
               281           282           283           284           285 
      1   0.248744D+00  0.388950D+01  0.130618D+01  0.108233D+00  0.807645D+00
      2  -0.104951D+01  0.976416D+01 -0.161655D+01  0.141901D+01  0.189352D+01
      3  -0.355716D+01 -0.142401D+01 -0.558954D+01  0.303784D+01 -0.354112D+01
               286           287           288           289           290 
      1   0.413888D+01  0.224853D+01  0.578332D+01 -0.221296D+01 -0.202575D+01
      2   0.765648D+01 -0.115806D+01  0.150100D+02  0.115550D+01  0.216027D+00
      3  -0.392438D+00 -0.339345D+01 -0.141364D+01  0.766344D+01  0.514071D+01
               291           292           293           294           295 
      1  -0.534230D+00  0.206243D+01 -0.890125D+01 -0.342482D+01 -0.518204D+00
      2   0.560105D-01  0.306258D+01 -0.168881D+01 -0.395210D+01 -0.560170D+00
      3   0.103436D+01 -0.589075D+00  0.340495D+02 -0.278692D+01  0.260976D+01
               296           297           298           299           300 
      1  -0.528772D+00 -0.205620D+01 -0.638464D+00  0.433198D+01 -0.259331D+01
      2  -0.346559D+01 -0.159205D+01 -0.259937D+01 -0.182540D+01  0.489578D+00
      3   0.134652D+01  0.421490D+01  0.112249D+02  0.718334D+01  0.385384D+01
               301           302           303           304           305 
      1  -0.771151D+00  0.571285D+01 -0.585983D+01 -0.163495D+01 -0.483682D+01
      2  -0.193615D+01 -0.590917D+00  0.585850D+00 -0.137606D+01  0.584794D+00
      3   0.107250D+02  0.646965D+01  0.305830D+01  0.240498D+01  0.138674D+01
               306           307           308           309           310 
      1  -0.175266D+00 -0.454396D+01  0.148685D+01  0.748673D+01  0.123804D+01
      2   0.711684D+00  0.758353D+01 -0.180374D+01 -0.206444D+01 -0.266001D+00
      3   0.757712D+00 -0.166016D+02  0.430618D+01  0.693878D+01  0.373841D+01
               311           312           313           314           315 
      1  -0.404302D+01 -0.208177D+01  0.597341D+01 -0.574371D+00 -0.854869D+01
      2   0.155615D+01  0.666995D+00 -0.538734D+01  0.214225D+01  0.302151D+01
      3  -0.271084D+01 -0.249511D+01  0.825007D+01 -0.465931D+01 -0.801515D+01
               316           317           318           319           320 
      1   0.468495D+01  0.131103D+01 -0.771719D+01  0.972179D+00  0.407584D+01
      2   0.725611D+01  0.137122D+01 -0.160257D+01 -0.362721D+00  0.122407D+01
      3   0.171814D+02  0.368449D+01 -0.694626D+01  0.231899D+01  0.255312D+01
               321           322           323           324           325 
      1  -0.186518D+01 -0.558270D+01 -0.694392D+00  0.851777D+01  0.102792D+01
      2  -0.556567D+00 -0.469755D+01 -0.201198D+01  0.255994D+01 -0.269633D+01
      3  -0.217898D+01 -0.721324D+01 -0.458803D+01  0.759519D+01 -0.111296D+02
               326           327           328           329           330 
      1   0.414372D+01  0.226460D+01 -0.100787D+01 -0.538282D+01 -0.593837D+01
      2   0.159443D+01  0.507442D+00  0.210944D+01 -0.568201D+00 -0.377883D+00
      3   0.707531D+01 -0.382283D+01  0.101690D+02 -0.682681D+01  0.336776D+01
               331           332           333           334           335 
      1   0.135395D+01 -0.478675D+01  0.515468D+00 -0.239121D+01 -0.272399D+01
      2  -0.155148D+01 -0.328546D+00  0.599893D+00  0.130427D+02  0.464097D+01
      3  -0.270760D+01  0.144354D+01 -0.823075D+00  0.223803D+01 -0.214668D+00
               336           337           338           339           340 
      1  -0.487741D+00 -0.150018D+01 -0.121340D+01  0.137487D+01 -0.185683D+01
      2  -0.801975D+01  0.615056D+01  0.226090D+01 -0.122201D+01 -0.120585D+02
      3  -0.265054D+01  0.275884D+01  0.451606D+00 -0.491792D+00 -0.332773D+01
               341           342           343           344           345 
      1   0.234755D+01  0.211934D+01  0.999749D+00  0.134058D+01  0.290238D+00
      2  -0.300027D+00  0.870534D+01 -0.989027D-01 -0.101488D+01 -0.174481D+01
      3   0.822642D+00  0.191343D+01 -0.770223D+00 -0.144325D+01  0.277933D+00
               346           347           348           349           350 
      1   0.186850D+01  0.867119D+01  0.558106D+01  0.305784D+00  0.763488D+01
      2  -0.227161D+01  0.352094D+01  0.468497D+01 -0.282209D+01  0.486921D+01
      3   0.113700D+01 -0.533373D+01 -0.534994D+01  0.677351D+00 -0.513896D+01
               351           352           353           354           355 
      1   0.511809D+01  0.154170D+01 -0.280087D+01  0.229244D+01 -0.235542D+01
      2   0.713338D+01  0.228800D+01 -0.240762D+01  0.261778D+01  0.604839D+00
      3  -0.516474D+01 -0.147567D+01 -0.527849D+01  0.190979D+01 -0.374808D+01
               356           357           358           359           360 
      1   0.489606D+01 -0.487697D+01  0.150891D+01 -0.313178D+01  0.223250D+01
      2   0.808799D+00 -0.529590D+01 -0.359112D-01 -0.528233D+01  0.147498D+01
      3   0.174483D+02 -0.133944D+01  0.302811D+00 -0.411145D+01  0.432931D+01
               361           362           363           364           365 
      1  -0.783092D+00 -0.140102D+01 -0.259586D+01  0.217416D+00 -0.128227D+01
      2  -0.911019D+01 -0.542457D+01 -0.667259D+01 -0.138766D+01 -0.741935D+01
      3   0.106170D+02  0.437319D+01  0.573870D+01  0.391404D+01  0.761840D+01
               366           367           368           369           370 
      1  -0.285848D+01  0.615824D+00 -0.152164D+01 -0.810874D+01  0.446713D+00
      2  -0.600088D+01 -0.813600D+01 -0.113565D+02 -0.176912D+02 -0.690331D+01
      3   0.607982D+01  0.830025D+01  0.854407D+01  0.106697D+02  0.488770D+01
               371           372           373           374           375 
      1  -0.192375D+01  0.164425D+00 -0.763789D+00  0.242816D+01  0.212673D+00
      2   0.470130D+01  0.102129D+02  0.508332D+01 -0.584705D+01 -0.544662D+01
      3  -0.660864D+01 -0.498624D+01 -0.497050D+01  0.933372D+01  0.640835D+01
               376           377           378           379           380 
      1   0.604814D-01  0.227415D+01 -0.119116D+01 -0.255118D+01  0.328507D+01
      2   0.948290D+01 -0.439200D+01 -0.135130D+02 -0.110240D+02  0.590294D+01
      3  -0.477541D+01  0.518955D+01  0.388318D+01 -0.324927D+01  0.494347D+01
               381           382           383           384           385 
      1  -0.215149D+01  0.350027D+01 -0.664674D+01  0.257808D+01 -0.256405D+01
      2  -0.470148D+01  0.908348D+01 -0.998945D+01  0.113576D+02 -0.592604D+01
      3  -0.367875D+01  0.784039D+01 -0.132377D+02  0.697488D+01 -0.374199D+01
               386           387           388           389           390 
      1   0.492128D+01 -0.412315D+01  0.891107D+00  0.133839D-01 -0.117669D+01
      2   0.872437D+01 -0.158390D+02 -0.882491D+01 -0.428395D+01  0.749268D+01
      3   0.634786D+01 -0.703735D+01 -0.161946D+02 -0.120805D+02  0.295407D+01
               391           392           393           394           395 
      1   0.106647D+01 -0.185273D+00 -0.157294D+01 -0.563796D+00  0.793126D+00
      2  -0.797260D+01 -0.242957D+01  0.415316D+01  0.856148D+01  0.275527D+01
      3  -0.145462D+02 -0.146842D+02  0.126270D+01  0.669956D+01  0.351641D+01
               396           397           398           399           400 
      1   0.906708D+00 -0.112907D+01  0.819634D+00  0.274693D-02  0.974859D+00
      2  -0.611117D+01  0.859237D+01 -0.390329D+01  0.607916D+01 -0.825464D+01
      3  -0.194531D+01  0.669902D+01 -0.700722D+01  0.500141D+01 -0.106575D+02
               401           402           403           404           405 
      1  -0.131809D+01 -0.814238D+00 -0.368804D+00  0.223238D+01 -0.857629D-01
      2   0.626857D+01 -0.107567D+02  0.773973D+01 -0.730683D+01  0.156744D+02
      3   0.158681D+02 -0.789587D+01  0.888023D+01 -0.865743D+01  0.797784D+01
               406           407           408           409           410 
      1   0.524687D+01 -0.288391D+01  0.871848D+00 -0.680401D-01  0.847330D+01
      2  -0.351052D+01  0.146325D+01 -0.504376D+00 -0.161287D+01 -0.888252D+01
      3  -0.599936D+01  0.275158D+01 -0.455434D+01 -0.207987D-02 -0.220209D+02
               411           412           413           414           415 
      1  -0.558430D+01 -0.551649D-01 -0.485363D+01  0.467493D+01 -0.206737D+01
      2   0.535861D+01  0.164607D+01  0.840905D+01 -0.797381D+01  0.490918D+01
      3   0.599106D+01 -0.722806D+01  0.969125D+01 -0.882450D+01 -0.132900D+01
               416           417           418           419           420 
      1  -0.789638D+00 -0.212127D+01  0.439175D-01  0.104283D+01 -0.168351D+01
      2   0.366093D+01  0.598248D+01  0.257127D+01  0.434335D+01  0.616822D+01
      3  -0.427312D+01 -0.289778D+01 -0.447241D+01 -0.884845D+01 -0.563192D+01
               421           422           423 
      1  -0.214912D+01 -0.671489D-01 -0.586734D+01
      2   0.563026D+01  0.953915D+01  0.201686D+02
      3  -0.324366D+01 -0.733552D+01 -0.918190D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383014D+02  0.106630D+02  0.946731D+01  0.183937D+02  0.147489D+02
      2   0.222697D+02 -0.700271D+01 -0.396629D+00 -0.155520D+02 -0.350637D+02
      3   0.160317D+02 -0.366028D+01 -0.907068D+01 -0.284168D+01  0.203148D+02
      4   0.185991D+01 -0.148389D+01  0.793073D+00 -0.718806D+01 -0.432044D+02
      5   0.644655D+01 -0.220591D+01  0.963252D+01 -0.358559D+00  0.270274D+01
      6  -0.247828D+01 -0.267352D-01  0.461851D+01  0.314770D+01  0.754731D+01
                 6             7             8             9            10 
      1   0.135513D+01  0.666130D+01  0.209769D+01  0.156311D+02  0.182183D+02
      2   0.470717D+01 -0.245779D+01 -0.105488D+01  0.330862D+01 -0.153757D+02
      3  -0.606230D+01 -0.420351D+01 -0.104281D+01 -0.189397D+02 -0.284254D+01
      4   0.507597D+01  0.533567D+01  0.170922D+01  0.557584D+01  0.263593D+02
      5   0.461459D+01  0.549929D+01  0.117496D+01  0.155981D+02  0.163185D+00
      6   0.166019D+01  0.105961D+01  0.474870D+00  0.805023D+01 -0.219296D+01
                11            12            13            14            15 
      1   0.937787D+01 -0.311099D+01  0.474663D+02  0.715253D+01 -0.851936D+01
      2   0.997829D+01  0.157756D+01 -0.140416D+02 -0.121126D+02  0.245448D+01
      3  -0.193562D+02  0.153343D+01 -0.334247D+02  0.496003D+01  0.606488D+01
      4   0.141473D+02 -0.633607D+01  0.164320D+02  0.129166D+02 -0.248155D-01
      5  -0.360615D+01  0.847165D+01 -0.203586D+01 -0.157537D+01  0.113406D+01
      6   0.639941D+01 -0.187330D+01 -0.573248D+00 -0.243316D+01  0.558560D+01
                16            17            18            19            20 
      1  -0.210464D+02  0.356675D+01  0.705799D+01  0.577058D+02 -0.142601D+02
      2   0.491311D+01 -0.853138D+01 -0.241332D+01 -0.326125D+02  0.146940D+02
      3   0.161333D+02  0.496462D+01 -0.464467D+01 -0.250933D+02 -0.433958D+00
      4  -0.253344D+01 -0.731637D+01  0.851828D+01 -0.239301D+02  0.102442D+02
      5   0.144862D+02  0.609921D+01 -0.780870D+01  0.393719D+02 -0.788687D+01
      6   0.464276D+01  0.269883D+01 -0.357792D+01 -0.817331D+01  0.566185D+01
                21            22            23            24            25 
      1   0.144757D+02 -0.475026D+02  0.351820D+01  0.947896D+01  0.254064D+02
      2  -0.161825D+02  0.170681D+02  0.994952D+01 -0.576485D+01 -0.828481D+01
      3   0.170680D+01  0.304345D+02 -0.134677D+02 -0.371411D+01 -0.171216D+02
      4  -0.693209D+01  0.346615D+01 -0.106418D+02  0.468282D+01  0.147872D+02
      5   0.149895D+02  0.634333D+01  0.632075D+01  0.108481D+01 -0.996356D-01
      6  -0.484162D+01  0.589849D+01 -0.122785D+01 -0.152730D+01  0.176852D+01
                26            27            28            29            30 
      1   0.803796D+01 -0.314115D+01 -0.350025D+02  0.268375D+01 -0.190824D+02
      2  -0.863856D+01 -0.249703D+01  0.270725D+02 -0.793379D+01  0.149757D+02
      3   0.600600D+00  0.563818D+01  0.793000D+01  0.525004D+01  0.410673D+01
      4  -0.133565D+01 -0.161253D+01  0.562667D+01  0.432228D+01  0.110459D+02
      5   0.139403D+01  0.160246D+01 -0.385456D+02  0.106324D+02 -0.346640D+02
      6  -0.343739D+00  0.969233D+01  0.919628D+01 -0.190599D+01  0.773458D+01
                31            32            33            34            35 
      1  -0.245724D+01  0.113690D+02  0.355361D+01 -0.311374D+02  0.135792D+02
      2   0.632662D+01 -0.225905D+02 -0.279203D+00  0.247151D+02 -0.941633D+01
      3  -0.386938D+01  0.112215D+02 -0.327440D+01  0.642228D+01 -0.416292D+01
      4  -0.771496D+01  0.350178D+02 -0.320799D+01  0.173514D+02  0.368043D+01
      5   0.670676D+01 -0.534524D+01 -0.664517D+01 -0.555930D+02 -0.118305D+01
      6  -0.355940D+01  0.664508D+01  0.106265D+01  0.119098D+02 -0.351840D+00
                36            37            38            39            40 
      1  -0.368287D+02 -0.758934D+02  0.465823D+02  0.123466D+02  0.528922D+02
      2   0.267291D+02  0.340755D+02 -0.212851D+02 -0.328590D+01 -0.254814D+02
      3   0.100996D+02  0.418179D+02 -0.252972D+02 -0.906068D+01 -0.274108D+02
      4  -0.164956D+00  0.518107D+02 -0.129082D+02 -0.450898D+01 -0.162928D+02
      5  -0.215211D+02  0.129263D+02 -0.482477D+01  0.228691D+02 -0.384357D+01
      6   0.356971D+01 -0.751321D+01  0.145635D+01 -0.458424D+01  0.106815D+01
                41            42            43            44            45 
      1  -0.114121D+02  0.614028D+00  0.474413D+01  0.212225D+01  0.342688D+02
      2   0.733608D+01  0.137351D+01  0.972432D+00  0.139407D+01 -0.166441D+02
      3   0.407600D+01 -0.198754D+01 -0.571656D+01 -0.351632D+01 -0.176247D+02
      4  -0.167882D+02  0.624694D+01 -0.237379D+01  0.595629D+01  0.155139D+02
      5   0.659475D+01  0.166646D+02  0.326192D+02  0.166674D+02  0.409537D+01
      6   0.673195D+00 -0.367650D+01 -0.373820D+01 -0.324524D+01 -0.505049D+01
                46            47            48            49            50 
      1   0.191051D+02 -0.307359D+02 -0.445218D+00 -0.471839D+02 -0.887881D+01
      2  -0.885244D+01  0.172105D+02 -0.581892D+01  0.259245D+02  0.920359D+01
      3  -0.102526D+02  0.135254D+02  0.626414D+01  0.212594D+02 -0.324782D+00
      4  -0.326304D+02 -0.118215D+02  0.332698D+01 -0.161529D+02  0.183233D+02
      5   0.668638D+01  0.560437D+01 -0.395926D+02  0.570234D+01 -0.389824D+01
      6   0.633218D+01  0.185443D+00 -0.102655D+02  0.915437D+00 -0.363586D+01
                51            52            53            54            55 
      1   0.635172D+00  0.988780D+01 -0.669757D+00 -0.514422D+02 -0.348382D+01
      2  -0.428669D+01 -0.138745D+02 -0.423052D+01  0.269033D+02 -0.947277D+01
      3   0.365152D+01  0.398671D+01  0.490028D+01  0.245389D+02  0.129566D+02
      4  -0.400922D+01  0.291147D+01 -0.416562D+01 -0.393951D+02  0.146316D+02
      5  -0.257310D+02 -0.667199D+02 -0.334436D+02  0.123387D+02  0.163082D+01
      6  -0.708473D+01 -0.181125D+02 -0.750686D+01  0.386565D+01 -0.230484D+01
                56            57            58            59            60 
      1   0.799666D+01 -0.206520D+02 -0.367385D+01 -0.166679D+01  0.368747D+01
      2  -0.910514D+01 -0.114090D+02 -0.165447D+01  0.722303D+01  0.362480D+01
      3   0.110848D+01  0.320609D+02  0.532832D+01 -0.555625D+01 -0.731227D+01
      4  -0.275723D+01 -0.686344D-01  0.435933D+01  0.300469D+01 -0.131418D+01
      5  -0.212086D-01  0.211608D+02 -0.150643D+01 -0.432116D+00  0.638574D+01
      6   0.167757D+01  0.632817D+01 -0.263101D+00  0.371466D+01 -0.812009D+01
                61            62            63            64            65 
      1   0.331541D+01 -0.133577D+02 -0.426774D+01 -0.185763D+01 -0.518555D+01
      2  -0.191468D+02  0.872818D+01 -0.253291D+02  0.482875D+01 -0.365837D+01
      3   0.158314D+02  0.462955D+01  0.295969D+02 -0.297113D+01  0.884392D+01
      4  -0.113489D+02  0.368418D+01  0.514424D+00 -0.122249D+01  0.928638D+01
      5   0.254340D+02 -0.646015D+00  0.289190D+02  0.687677D+01 -0.183406D+01
      6  -0.448995D+01 -0.420674D+01  0.757015D+00 -0.569672D+00 -0.571275D+00
                66            67            68            69            70 
      1   0.621156D+01 -0.742033D+01  0.622656D+01 -0.241479D+02 -0.191273D+01
      2  -0.740824D+01 -0.424890D+00 -0.160420D+02 -0.620076D+01 -0.430549D+01
      3   0.119668D+01  0.784522D+01  0.981543D+01  0.303487D+02  0.621822D+01
      4  -0.262195D+01  0.424005D+01  0.150168D+01  0.830944D+00 -0.407283D+01
      5   0.335913D+01 -0.242318D+00  0.721866D+00  0.161798D+02  0.289859D+01
      6   0.119286D+02  0.486817D+01  0.486952D+01  0.142171D+02  0.424827D+01
                71            72            73            74            75 
      1  -0.208194D+02 -0.217961D+02  0.223200D+00 -0.373631D+01 -0.449921D+01
      2   0.100250D+02 -0.130439D+02  0.961622D+01 -0.578488D+01  0.240940D+01
      3   0.107944D+02  0.348399D+02 -0.983942D+01  0.952119D+01  0.208980D+01
      4   0.775110D+01  0.840085D+01 -0.745051D+01 -0.259743D+00  0.152080D+02
      5   0.777220D+01  0.205302D+02  0.371853D+01  0.116048D+02 -0.816513D+00
      6   0.159071D+02  0.196753D+02  0.104093D+02  0.610685D+01  0.358542D+01
                76            77            78            79            80 
      1   0.102000D+02 -0.320323D+02 -0.951323D+01 -0.177835D+01  0.434247D+01
      2  -0.333247D+01  0.466769D+02  0.544487D+00  0.935859D+00  0.147331D+01
      3  -0.686753D+01 -0.146447D+02  0.896875D+01  0.842487D+00 -0.581578D+01
      4   0.641258D+01  0.231413D+02  0.458881D+01  0.828325D+01  0.793310D+01
      5   0.248622D+01  0.518945D+01  0.460236D+01 -0.232449D+01  0.151636D+01
      6   0.280090D+01  0.232128D+02  0.106819D+02  0.706314D+01  0.794184D+01
                81            82            83            84            85 
      1  -0.837374D+01  0.833219D+01  0.177822D+02 -0.543116D+00  0.123941D+02
      2   0.874512D+01 -0.139741D+02 -0.392281D+02 -0.525123D+01 -0.247088D+02
      3  -0.371384D+00  0.564186D+01  0.214459D+02  0.579434D+01  0.123147D+02
      4  -0.245619D+01 -0.118602D+01 -0.223488D+02 -0.128724D+02 -0.143549D+02
      5   0.510629D+01  0.981335D+00 -0.774975D+01 -0.455810D+01 -0.320448D+01
      6  -0.611570D+00 -0.165999D+02 -0.731917D+01  0.148111D+02 -0.315733D+01
                86            87            88            89            90 
      1   0.248431D+02  0.582013D+01 -0.211230D+01 -0.273911D+01  0.341798D+01
      2  -0.494335D+02 -0.110293D+02 -0.812046D+00  0.221901D+01 -0.386309D+01
      3   0.245904D+02  0.520915D+01  0.292435D+01  0.520096D+00  0.445111D+00
      4  -0.348224D+02 -0.207775D+01 -0.949689D+01 -0.110722D+01  0.993501D+01
      5  -0.247853D+01 -0.822541D-02 -0.418336D+01  0.144548D+01  0.311389D+01
      6  -0.210774D+02 -0.480329D+01  0.172934D+02 -0.102354D+02 -0.289022D+00
                91            92            93            94            95 
      1   0.816045D+01 -0.182531D+02  0.431004D+00 -0.128823D+02  0.269653D+02
      2  -0.127616D+02  0.386802D+02 -0.640034D+01  0.238067D+02 -0.498527D+02
      3   0.460117D+01 -0.204272D+02  0.596934D+01 -0.109243D+02  0.228874D+02
      4  -0.442069D+00 -0.204153D+02  0.128729D+02 -0.123064D+02  0.331768D+02
      5   0.163981D+01  0.757860D+01 -0.513878D+01  0.295139D+01 -0.284733D+01
      6   0.166052D+02 -0.798073D+01 -0.145373D+02 -0.406306D+01  0.220179D+02
                96            97            98            99           100 
      1  -0.658538D+01 -0.930586D+00  0.189798D+01  0.327265D+01 -0.405688D+01
      2   0.119907D+02 -0.244917D+01 -0.115490D+01 -0.383890D+01  0.109981D+02
      3  -0.540531D+01  0.337975D+01 -0.743086D+00  0.566253D+00 -0.694117D+01
      4  -0.293337D+01  0.887577D+01 -0.238586D+01 -0.990356D+01  0.105964D+02
      5   0.203563D+00 -0.449450D+01 -0.135968D+01  0.363035D+01  0.254714D+01
      6  -0.530018D+01 -0.168901D+02 -0.104804D+02  0.582299D+00 -0.100855D+02
               101           102           103           104           105 
      1   0.438188D+01 -0.363482D+01 -0.794459D+01 -0.335732D+02  0.960254D+01
      2   0.548030D+01  0.296319D+01  0.296357D+01  0.458122D+02 -0.965059D+00
      3  -0.986218D+01  0.671638D+00  0.498102D+01 -0.122390D+02 -0.863748D+01
      4  -0.189718D+01 -0.142168D+02  0.452663D+01 -0.189392D+02  0.427447D+01
      5  -0.105066D+02  0.856080D-02 -0.187177D+01  0.431347D+01 -0.342444D+01
      6   0.496498D+01 -0.358298D+01  0.119972D+01 -0.233140D+02  0.988809D+01
               106           107           108           109           110 
      1  -0.301819D+01 -0.224151D+01 -0.917841D+01  0.124036D+02 -0.100429D+02
      2   0.105779D+01 -0.203234D+01  0.694731D+01 -0.903516D+01 -0.118646D+02
      3   0.196040D+01  0.427385D+01  0.223110D+01 -0.336842D+01  0.219075D+02
      4  -0.702145D+01  0.734072D+01  0.160524D+01 -0.291233D+02  0.184821D+02
      5  -0.239145D+01 -0.185747D+01  0.442156D+01  0.433955D+01  0.264160D+01
      6  -0.683930D+01  0.842001D+01 -0.107794D+01  0.460572D+01  0.724231D+01
               111           112           113           114           115 
      1  -0.258290D+01 -0.453716D+02  0.117264D+02  0.474661D+01 -0.284273D+02
      2   0.127781D+00  0.857418D+01 -0.132637D+02  0.559239D-01  0.520721D+01
      3   0.245512D+01  0.367974D+02  0.153726D+01 -0.480253D+01  0.232201D+02
      4   0.594867D+01  0.220751D+02 -0.150047D+02 -0.781276D-01  0.802762D+01
      5   0.545922D+01 -0.303361D+01 -0.140555D+01 -0.385969D+00  0.128166D+02
      6   0.246809D+01 -0.623552D+00  0.211931D+01  0.549750D+01 -0.192086D+01
               116           117           118           119           120 
      1  -0.358439D+01  0.576222D+01  0.588114D+02  0.124346D+02  0.115976D+02
      2   0.101698D+02  0.716087D+00 -0.344352D+02 -0.121376D+02 -0.156642D+02
      3  -0.658542D+01 -0.647831D+01 -0.243762D+02 -0.296967D+00  0.406659D+01
      4  -0.935856D+01 -0.981988D+01  0.220522D+02  0.111928D+02  0.553427D+01
      5  -0.617106D+01 -0.394036D+01  0.349126D+02  0.648379D+01  0.170397D+02
      6   0.451449D+01  0.220771D+01  0.482622D+01  0.649612D+01  0.516214D+01
               121           122           123           124           125 
      1   0.396911D+02  0.475540D+01 -0.892568D+01  0.262745D+02 -0.884419D+01
      2  -0.100790D+02  0.756119D+01  0.452715D+01 -0.790421D+01  0.821747D+01
      3  -0.296121D+02 -0.123166D+02  0.439853D+01 -0.183703D+02  0.626720D+00
      4   0.294750D+01  0.991465D+01  0.423710D+01 -0.161037D+02  0.118232D+01
      5  -0.725833D+01  0.508452D+01 -0.296964D+00  0.391275D+01  0.136892D+01
      6   0.684912D+01 -0.272588D+00 -0.283261D+00 -0.273206D+01 -0.431366D+00
               126           127           128           129           130 
      1  -0.284432D+01 -0.305824D+01 -0.993038D+01 -0.234762D+02  0.195677D+01
      2  -0.375253D+01 -0.594685D+01  0.104747D+02 -0.108642D+02  0.296269D+01
      3   0.659685D+01  0.900510D+01 -0.544269D+00  0.343403D+02 -0.491946D+01
      4   0.419210D+01 -0.195166D+02 -0.202107D+01 -0.952140D+00  0.346036D+01
      5   0.459291D+01 -0.111454D+01 -0.928559D+00  0.167524D+02  0.183543D+01
      6  -0.612596D+01  0.161294D+01  0.452889D+00 -0.658223D+01  0.196212D+00
               131           132           133           134           135 
      1  -0.228224D+01 -0.260230D+01  0.627096D+01  0.138876D+02 -0.663046D+01
      2   0.722078D+01 -0.326730D+01 -0.219960D+02 -0.891490D+01 -0.264753D+02
      3  -0.493854D+01  0.586959D+01  0.157251D+02 -0.497271D+01  0.331058D+02
      4  -0.174102D+01 -0.104567D+01  0.102104D+02  0.252556D+01 -0.117369D+01
      5  -0.207383D+00 -0.699782D+01  0.245460D+02  0.180022D+00  0.310489D+02
      6  -0.421145D+01 -0.779963D+01  0.405625D+01 -0.371435D+01 -0.168621D+01
               136           137           138           139           140 
      1  -0.267334D+01  0.516473D+01  0.822708D+01  0.631928D+01  0.762822D+01
      2   0.532693D+01  0.133504D+01 -0.703244D+01 -0.658659D+00 -0.159996D+02
      3  -0.265360D+01 -0.649978D+01 -0.119464D+01 -0.566062D+01  0.837142D+01
      4   0.252105D+01  0.966593D+01  0.308557D+01  0.688415D+01 -0.292479D+01
      5   0.624428D+01  0.204028D+01  0.252841D+01  0.807336D+00  0.946313D+00
      6   0.796077D+00 -0.122621D+01 -0.994836D+01  0.487353D+01 -0.356030D+01
               141           142           143           144           145 
      1   0.249373D+02 -0.132632D+01  0.211132D+02 -0.217726D+02 -0.188507D+02
      2   0.734064D+01 -0.403487D+01 -0.103059D+02 -0.120716D+02  0.214580D+01
      3  -0.322779D+02  0.536119D+01 -0.108074D+02  0.338441D+02  0.167049D+02
      4   0.662443D+00  0.587257D+01  0.635415D+01 -0.592491D+01  0.176488D+02
      5  -0.134456D+02  0.788288D+00 -0.634924D+01  0.184232D+02  0.157224D+01
      6   0.147445D+02 -0.354426D+01  0.155863D+02 -0.187820D+02 -0.199005D+00
               146           147           148           149           150 
      1   0.154662D+01  0.106971D+02  0.428029D+01 -0.174988D+02  0.995163D+01
      2   0.162843D+02 -0.627653D+01  0.206885D+02 -0.114865D+02 -0.428033D+01
      3  -0.178309D+02 -0.442053D+01 -0.249688D+02  0.289852D+02 -0.567130D+01
      4  -0.272335D+02  0.742457D+01 -0.482910D+02  0.433355D+02 -0.225101D+01
      5   0.113736D+02  0.487709D+01  0.126686D+02 -0.214633D+01  0.385469D+01
      6  -0.622812D+01 -0.788920D+01 -0.133911D+01  0.765839D+00 -0.620155D+01
               151           152           153           154           155 
      1   0.130223D+02  0.194792D+02  0.142810D+02 -0.543939D+01  0.211352D+02
      2  -0.123851D+02 -0.248908D+01 -0.753404D+01  0.417185D+01 -0.189380D+02
      3  -0.637226D+00 -0.169901D+02 -0.674698D+01  0.126754D+01 -0.219722D+01
      4   0.179078D+02 -0.125872D+02  0.573801D+01  0.284316D+02 -0.311978D+01
      5   0.207787D+01  0.782866D+01  0.422810D+01  0.264955D+02 -0.324697D+02
      6  -0.500707D+01 -0.801690D+01 -0.822465D+01 -0.997684D+01  0.296104D+01
               156           157           158           159           160 
      1   0.168619D+02  0.319010D+02  0.640148D+01 -0.397453D+02  0.156146D+02
      2  -0.833114D+01 -0.258354D+02  0.110295D+01  0.181696D+02 -0.673534D+01
      3  -0.853080D+01 -0.606564D+01 -0.750443D+01  0.215757D+02 -0.887925D+01
      4  -0.317570D+02 -0.300993D+01 -0.221811D+01  0.163417D+02 -0.389196D+02
      5  -0.213561D+02 -0.442675D+02  0.133635D+02  0.939091D-01 -0.218101D+02
      6   0.951850D+01  0.528749D+01 -0.579449D+00 -0.543066D+01  0.109967D+02
               161           162           163           164           165 
      1  -0.360703D+02 -0.136041D+02 -0.497025D+02 -0.308964D+02 -0.355762D+01
      2   0.149009D+02  0.106050D+02  0.212146D+02  0.143810D+02  0.389180D+01
      3   0.211694D+02  0.299905D+01  0.284879D+02  0.165154D+02 -0.334183D+00
      4   0.159532D+02 -0.214936D+01 -0.352194D+02 -0.200255D+02  0.299528D+02
      5  -0.255325D+01  0.161449D+02 -0.270507D+01  0.294279D+02  0.774659D+00
      6  -0.457599D+01 -0.638688D+00  0.658178D+01  0.579410D+00  0.233328D+01
               166           167           168           169           170 
      1  -0.491640D+02 -0.283518D+02  0.422976D+02 -0.284083D+01  0.425904D+02
      2   0.225326D+02  0.141102D+02 -0.217388D+02  0.258619D+01 -0.227241D+02
      3   0.266314D+02  0.142415D+02 -0.205588D+02  0.254639D+00 -0.198663D+02
      4  -0.340465D+02  0.355072D+01 -0.957477D+01  0.461016D+02 -0.715556D+01
      5   0.449408D+02 -0.977068D+01  0.199541D+02 -0.742729D+01  0.196646D+02
      6  -0.214089D+01  0.415040D+01 -0.300079D+01  0.340047D+01 -0.293861D+01
               171           172           173           174           175 
      1  -0.318679D+01 -0.168107D+02  0.636156D+01  0.412476D+01  0.383482D+01
      2   0.160483D+01  0.121061D+02  0.244759D+00 -0.204896D+01 -0.414194D+01
      3   0.158196D+01  0.470461D+01 -0.660632D+01 -0.207580D+01  0.307117D+00
      4   0.187650D+02  0.148272D+01 -0.414998D+01 -0.192400D+02 -0.185989D+02
      5  -0.607487D+01 -0.820165D+01 -0.193446D+02 -0.203473D+02 -0.254460D+02
      6   0.425846D+01 -0.463239D+01 -0.634253D+01 -0.692484D+01 -0.780965D+01
               176           177           178           179           180 
      1  -0.258397D+01 -0.200641D+02  0.871694D+01 -0.180975D+02 -0.108109D+02
      2  -0.496880D+01  0.173022D+02  0.295294D+01  0.193469D+02  0.915065D+01
      3   0.755277D+01  0.276187D+01 -0.116699D+02 -0.124939D+01  0.166021D+01
      4  -0.229445D+02 -0.121316D+00 -0.227269D+02  0.154153D+01 -0.263157D+02
      5  -0.266868D+00 -0.187033D+02 -0.322169D+02 -0.275025D+02 -0.308606D+02
      6  -0.217014D+01 -0.700823D+01 -0.140563D+02 -0.965347D+01 -0.135364D+02
               181           182           183           184           185 
      1  -0.566451D+02  0.944129D+00 -0.629971D+01  0.964420D+00  0.810096D+01
      2   0.378397D+02 -0.871812D+00  0.202691D+02 -0.725579D-01 -0.131336D+02
      3   0.188054D+02 -0.723169D-01 -0.139694D+02 -0.891862D+00  0.503265D+01
      4   0.939253D+00 -0.143639D+02  0.122085D+01 -0.927395D+01 -0.119926D+01
      5  -0.294443D+02  0.121117D-01 -0.293369D+02 -0.115155D+01 -0.825208D+01
      6   0.166887D+00 -0.572457D+01 -0.182658D+01 -0.122913D+02 -0.208174D+00
               186           187           188           189           190 
      1   0.108994D+00 -0.131028D+02 -0.752483D-01  0.164957D+02  0.278676D+02
      2  -0.827977D+00  0.237404D+02  0.263865D+00  0.193833D+02 -0.107311D+02
      3   0.718983D+00 -0.106376D+02 -0.188617D+00 -0.358791D+02 -0.171365D+02
      4  -0.637650D+01  0.165588D+01 -0.119535D+02 -0.770423D+00 -0.227778D+02
      5  -0.294346D+00 -0.187112D+02  0.272944D+00 -0.276615D+02 -0.130120D+02
      6  -0.132572D+02 -0.140335D+01 -0.776998D+01  0.145439D+00  0.103639D+02
               191           192           193           194           195 
      1  -0.319989D+01 -0.266795D+01 -0.210064D+01 -0.443452D+02 -0.151721D+02
      2  -0.396416D+01  0.408789D+01 -0.841889D+01  0.721827D+02  0.130713D+02
      3   0.716405D+01 -0.141994D+01  0.105195D+02 -0.278375D+02  0.210088D+01
      4   0.261481D+02  0.981732D+01  0.242045D+02 -0.258199D+02 -0.935648D+01
      5   0.101086D+02  0.189842D+02  0.355828D+01 -0.106007D+02 -0.616508D+01
      6  -0.299903D+01 -0.574562D+01 -0.711453D+01  0.291814D+02  0.283086D+02
               196           197           198           199           200 
      1  -0.900734D+00 -0.164254D+02 -0.232144D+02  0.296788D+02  0.153238D+01
      2   0.637844D+01  0.612714D+01 -0.403479D+01 -0.145990D+02  0.526606D+01
      3  -0.547771D+01  0.102982D+02  0.272492D+02 -0.150798D+02 -0.679844D+01
      4   0.574498D+01 -0.464296D+01 -0.117887D+02  0.196808D+02  0.227303D+02
      5   0.199426D+02 -0.115490D+02 -0.170836D+02 -0.139224D+02 -0.897393D+01
      6  -0.107051D+02  0.311009D+02  0.316754D+02 -0.100820D+02 -0.314424D+01
               201           202           203           204           205 
      1  -0.283974D+01 -0.187863D+00 -0.372518D+02  0.154379D+02  0.122408D+00
      2   0.520160D+01  0.841830D+01  0.585391D+02 -0.126023D+02  0.671104D+01
      3  -0.236186D+01 -0.823044D+01 -0.212874D+02 -0.283560D+01 -0.683344D+01
      4  -0.982741D+01  0.226521D+02  0.247524D+02 -0.101938D+02 -0.596234D+01
      5   0.216496D+02 -0.326611D+01 -0.116285D+02  0.662330D+01  0.220110D+02
      6   0.651983D+01 -0.772923D+01 -0.294367D+02  0.275608D+02  0.115992D+02
               206           207           208           209           210 
      1   0.182841D+02 -0.245009D+02 -0.697231D+01  0.591142D+01  0.173738D+02
      2  -0.795166D+01 -0.941527D+01 -0.730262D+01  0.851399D+00  0.980129D+01
      3  -0.103324D+02  0.339161D+02  0.142749D+02 -0.676282D+01 -0.271751D+02
      4  -0.627656D+01  0.127058D+02 -0.335589D+01  0.133436D+01  0.287843D+01
      5   0.117735D+02 -0.213454D+02 -0.111865D+02  0.269335D+01  0.104852D+02
      6   0.290286D+02 -0.330226D+02  0.772696D+01 -0.701296D+01 -0.127546D+02
               211           212           213           214           215 
      1   0.294319D+01 -0.350050D+01 -0.102238D+01  0.949997D+01 -0.244831D+01
      2  -0.775162D+00  0.269409D+00  0.241608D+01  0.482185D+01 -0.462120D+00
      3  -0.216803D+01  0.323109D+01 -0.139370D+01 -0.143218D+02  0.291043D+01
      4   0.128965D+01 -0.174219D+01 -0.137234D+01  0.151403D+01 -0.175330D+01
      5   0.235803D+01 -0.268950D+01 -0.339370D+01  0.819070D+01 -0.247245D+01
      6  -0.419490D+01  0.421750D+01  0.533767D+01 -0.519283D+01  0.479278D+01
               216           217           218           219           220 
      1  -0.167664D+02 -0.543006D+00 -0.197989D+01  0.457455D+01  0.688578D+00
      2  -0.114354D+02 -0.316199D+00 -0.448625D+00  0.239596D+01  0.319612D+01
      3   0.282019D+02  0.859206D+00  0.242851D+01 -0.697050D+01 -0.388470D+01
      4  -0.254206D+01 -0.248391D+01  0.184413D+01 -0.193015D+01  0.471482D+01
      5  -0.113169D+02  0.164469D+01 -0.278771D+01  0.207939D+01 -0.784122D+01
      6   0.776579D+01 -0.304960D+01  0.964678D+00  0.287944D+00  0.532028D+01
               221           222           223           224           225 
      1  -0.149875D+02  0.177453D+02  0.462872D+00  0.118179D+02 -0.209929D+02
      2   0.857817D+00  0.541864D+01 -0.106281D+01  0.243527D+01 -0.707986D+01
      3   0.141296D+02 -0.231640D+02  0.599943D+00 -0.142531D+02  0.280728D+02
      4  -0.995658D+01  0.982268D+01 -0.265123D+01  0.428751D+01 -0.601020D+01
      5   0.114200D+02 -0.159820D+02  0.371937D+01 -0.722517D+01  0.112478D+02
      6  -0.216542D+02  0.235328D+02 -0.217733D+01  0.156835D+02 -0.208050D+02
               226           227           228           229           230 
      1  -0.367269D+01 -0.418470D-01 -0.797695D+01 -0.901307D+01 -0.509584D+01
      2  -0.136005D+01 -0.387003D+00  0.194219D+01  0.609124D+01  0.472614D+01
      3   0.503274D+01  0.428850D+00  0.603475D+01  0.292183D+01  0.369704D+00
      4  -0.471755D+01 -0.109250D+01 -0.789987D+00 -0.731408D+00  0.484537D+01
      5  -0.230552D+01  0.165426D+01 -0.877609D+00  0.115044D+01 -0.341906D+01
      6  -0.678917D+00  0.102546D+01 -0.288534D+01 -0.363549D+00 -0.302596D+01
               231           232           233           234           235 
      1   0.102906D+01 -0.179055D+02  0.100113D+01 -0.151044D+02  0.356322D+01
      2  -0.475754D+01  0.848480D+01 -0.883846D+00 -0.985169D+01  0.416113D+01
      3   0.372848D+01  0.942069D+01 -0.117283D+00  0.249561D+02 -0.772435D+01
      4  -0.425156D+01 -0.873177D+01 -0.578914D+01  0.234450D+01  0.105517D+02
      5  -0.296945D+01  0.891248D+01  0.462384D+01 -0.268844D+02 -0.106676D+01
      6   0.198424D+01  0.109264D+01  0.616309D+01 -0.145457D+02 -0.540611D+00
               236           237           238           239           240 
      1   0.476987D+01  0.100704D+00  0.823400D+01 -0.247600D+02  0.902320D+00
      2   0.643337D+00 -0.512763D+00  0.476484D+01  0.523923D+02 -0.409484D+01
      3  -0.541321D+01  0.412060D+00 -0.129988D+02 -0.276323D+02  0.319252D+01
      4   0.121212D+02 -0.809880D+00  0.218613D+02  0.576774D+02 -0.782174D+01
      5  -0.912622D+00 -0.156360D+00 -0.552352D+01 -0.448687D+01  0.487501D+01
      6  -0.114972D+01 -0.776511D-01 -0.402923D+01 -0.120080D+02  0.680352D+01
               241           242           243           244           245 
      1   0.129276D+01  0.547707D+00 -0.521601D+01  0.551377D+02  0.183264D+02
      2  -0.709910D+00  0.145336D+01  0.398027D+01 -0.325488D+02 -0.932598D+01
      3  -0.582854D+00 -0.200107D+01  0.123573D+01 -0.225889D+02 -0.900039D+01
      4   0.222578D+00  0.307264D+00  0.572494D+01  0.304925D+02  0.171987D+02
      5   0.146096D+01  0.603933D+01 -0.207538D+01 -0.431890D+02 -0.126277D+02
      6   0.138274D+01  0.753980D+01 -0.220868D+01 -0.100306D+02 -0.476530D+01
               246           247           248           249           250 
      1  -0.287984D+02  0.181851D+02  0.112147D+02 -0.598406D+01 -0.430202D+02
      2   0.193446D+02 -0.766395D+01 -0.503948D+01  0.280225D+01  0.312827D+02
      3   0.945374D+01 -0.105212D+02 -0.617522D+01  0.318181D+01  0.117374D+02
      4  -0.149812D+02  0.244095D+02  0.152394D+02 -0.161838D+02 -0.251726D+02
      5   0.324452D+02 -0.144420D+02 -0.157105D+02  0.149865D+02  0.563502D+02
      6   0.746485D+01 -0.758582D+01 -0.673869D+01  0.887841D+01  0.141058D+02
               251           252           253           254           255 
      1  -0.977397D+01  0.302339D+02  0.438690D+02  0.180655D+02  0.182953D+02
      2   0.666054D+01 -0.274114D+02 -0.197503D+02 -0.712583D+01 -0.824422D+01
      3   0.311343D+01 -0.282249D+01 -0.241187D+02 -0.109397D+02 -0.100511D+02
      4  -0.196161D+02  0.265384D+02  0.272734D+02  0.167564D+02  0.955200D+01
      5   0.231993D+02 -0.535996D+02  0.206157D+02  0.659969D+01  0.180825D+02
      6   0.100368D+02 -0.147141D+02  0.489493D+01  0.208458D+01  0.452470D+01
               256           257           258           259           260 
      1   0.220125D+02  0.122688D+02  0.481717D+01  0.387840D+02  0.114606D+02
      2  -0.721316D+01 -0.121693D+01  0.792840D+00 -0.169696D+02 -0.215210D+01
      3  -0.147994D+02 -0.110519D+02 -0.561001D+01 -0.218144D+02 -0.930855D+01
      4   0.241575D+02  0.188065D+02  0.136195D+02  0.227237D+02  0.217185D+02
      5   0.779308D+01  0.122568D+02  0.118522D+02  0.328782D+02  0.181455D+02
      6   0.384815D+01  0.510038D+01  0.581872D+01  0.951687D+01  0.626364D+01
               261           262           263           264           265 
      1   0.241408D+02 -0.155221D+02 -0.116711D+02 -0.100687D+02 -0.148487D+02
      2  -0.120088D+02  0.789236D+01  0.553925D+01  0.320691D+01  0.811586D+01
      3  -0.121320D+02  0.762974D+01  0.613189D+01  0.686175D+01  0.673283D+01
      4   0.216710D+02 -0.685023D+01 -0.268232D+01 -0.112539D+00  0.290684D+01
      5   0.312117D+02 -0.481762D+01 -0.505360D+00 -0.867317D+01  0.180329D+01
      6   0.909118D+01  0.397024D+01  0.155156D+01  0.332780D+01  0.171958D+01
               266           267           268           269           270 
      1  -0.502728D+01 -0.297558D+01 -0.137307D+02 -0.719371D+01 -0.163099D+02
      2   0.289462D+01  0.132060D+01  0.566844D+01  0.177511D+01 -0.102702D+01
      3   0.213266D+01  0.165498D+01  0.806231D+01  0.541860D+01  0.173369D+02
      4  -0.592677D+01 -0.743552D+01  0.292396D+00 -0.123038D+02 -0.106791D+02
      5  -0.731904D+01 -0.962563D+01 -0.486591D+00 -0.121832D+02 -0.282798D+02
      6   0.469460D+01  0.683349D+01  0.141544D+01  0.755455D+01  0.105198D+02
               271           272           273           274           275 
      1   0.140839D+03 -0.410219D+02 -0.148864D+02 -0.388542D+02  0.264895D+02
      2  -0.680946D+02  0.175297D+02  0.827004D+01  0.144359D+02 -0.867952D+01
      3  -0.727447D+02  0.234922D+02  0.661634D+01  0.244183D+02 -0.178100D+02
      4  -0.560711D+02  0.309192D+02  0.553954D+01  0.381886D+02 -0.232247D+02
      5  -0.220888D+02  0.594693D+01  0.121038D+02  0.726682D+01 -0.475190D+01
      6   0.702993D+01 -0.375012D+01 -0.268423D+01 -0.448820D+01  0.282304D+01
               276           277           278           279           280 
      1   0.403492D+01 -0.507178D+01  0.124646D+01  0.118375D+02  0.627271D+02
      2  -0.200681D+01  0.367283D+01 -0.154955D+01 -0.679547D+01 -0.409786D+02
      3  -0.202811D+01  0.139895D+01  0.303096D+00 -0.504202D+01 -0.217485D+02
      4  -0.428517D+01  0.301980D+01 -0.146455D+01 -0.895939D+01 -0.170036D+02
      5  -0.658751D+01  0.173438D+02 -0.898565D+01 -0.445271D+01  0.495915D+02
      6   0.291375D+01 -0.381449D+01  0.304113D+01  0.189247D+01 -0.902013D+01
               281           282           283           284           285 
      1  -0.721979D+01  0.269663D+02  0.632387D+01  0.458405D+01 -0.865512D-01
      2   0.424747D+01 -0.202435D+02 -0.640071D+01 -0.114655D+01 -0.281532D+01
      3   0.297232D+01 -0.672287D+01  0.768459D-01 -0.343750D+01  0.290188D+01
      4   0.939345D+01 -0.104010D+02  0.122161D+02 -0.747408D+01  0.820351D+01
      5  -0.947957D+01  0.375502D+02 -0.526060D+00  0.949693D+01  0.253115D+01
      6   0.396592D+01 -0.777073D+01  0.436911D+01 -0.251267D+01  0.423913D+01
               286           287           288           289           290 
      1   0.416673D+02 -0.963116D+01  0.235091D+02 -0.311342D+01 -0.955504D+01
      2  -0.326059D+02  0.618593D+01 -0.273460D+02  0.333080D+01  0.711756D+01
      3  -0.906147D+01  0.344523D+01  0.383687D+01 -0.217386D+00  0.243748D+01
      4  -0.199879D+02  0.101481D+02 -0.119503D+02 -0.536833D+01  0.263176D+00
      5   0.547415D+02 -0.116778D+02  0.528360D+02  0.286786D+01 -0.324599D+00
      6  -0.126007D+02  0.686544D+01 -0.115291D+02 -0.327607D+00 -0.217788D+01
               291           292           293           294           295 
      1   0.282389D+01 -0.129669D+02 -0.164822D+02  0.224264D+01  0.802023D+00
      2  -0.170736D+01  0.552531D+00  0.353254D+02 -0.285294D+01 -0.210998D+01
      3  -0.111653D+01  0.124143D+02 -0.188432D+02  0.610299D+00  0.130796D+01
      4  -0.248736D-01  0.180680D+02 -0.522887D+02  0.639201D+01 -0.198346D+01
      5   0.330733D+01 -0.366440D+01  0.889568D+01 -0.710818D+01  0.961939D+01
      6   0.199567D+00  0.307022D+01 -0.115289D+02  0.654534D+01 -0.201600D+01
               296           297           298           299           300 
      1   0.208568D+00  0.222892D+01 -0.539342D+01 -0.201323D+02 -0.402201D+01
      2   0.147957D+01 -0.592063D-01  0.180283D+02  0.429698D+02  0.624947D+01
      3  -0.168814D+01 -0.216971D+01 -0.126349D+02 -0.228375D+02 -0.222746D+01
      4  -0.660134D+00 -0.587298D+01  0.223805D+02  0.321791D+02  0.768839D+01
      5  -0.630202D+01  0.246955D+01  0.487732D+01  0.535710D+01  0.460488D+01
      6   0.548528D+01 -0.206617D+01  0.964730D+01  0.143515D+02  0.589284D+01
               301           302           303           304           305 
      1  -0.113992D+02 -0.432738D+02 -0.790702D+01 -0.142017D+01 -0.513353D+01
      2   0.243262D+02  0.818336D+02  0.129506D+02  0.199987D+01  0.522472D+01
      3  -0.129271D+02 -0.385599D+02 -0.504359D+01 -0.579701D+00 -0.911897D-01
      4   0.199888D+02  0.371680D+02  0.632020D+01  0.411918D+01  0.470000D+01
      5   0.321989D+01  0.558193D+01  0.226607D+01  0.418568D+01  0.365449D+01
      6   0.781900D+01  0.245388D+02  0.117097D+02  0.420885D+01  0.163544D+02
               306           307           308           309           310 
      1  -0.703781D+01 -0.134861D+01  0.678514D+01  0.452368D+01  0.282794D+01
      2   0.975076D+01  0.344775D+01 -0.776903D+01 -0.289079D+01 -0.370336D+01
      3  -0.271295D+01 -0.209915D+01  0.983889D+00 -0.163289D+01  0.875426D+00
      4   0.551833D+01 -0.153674D+02  0.112116D+02  0.937672D+01  0.688571D+01
      5   0.274821D+01 -0.777103D+01  0.469699D+01  0.577458D+01  0.182710D+01
      6   0.670144D+01  0.137334D+02 -0.101305D+02 -0.149992D+02 -0.502624D+01
               311           312           313           314           315 
      1  -0.834265D+01 -0.623413D+01  0.454322D+01 -0.108325D+02 -0.103784D+02
      2   0.121557D+02  0.861557D+01 -0.181666D+01  0.110143D+02  0.317110D+01
      3  -0.381309D+01 -0.238144D+01 -0.272657D+01 -0.181732D+00  0.720735D+01
      4  -0.506504D+01 -0.314296D+01  0.923646D+01 -0.510101D+01 -0.885343D+01
      5  -0.251241D+01 -0.197210D+01  0.602824D+01 -0.329958D+01 -0.593227D+01
      6   0.122832D+02  0.945382D+01 -0.126943D+02  0.159109D+02  0.214662D+02
               316           317           318           319           320 
      1   0.726485D+00 -0.659858D+01  0.442555D+01 -0.368028D+01 -0.718126D+01
      2   0.141581D+01  0.711017D+01 -0.228597D+01  0.408571D+01  0.104968D+02
      3  -0.214229D+01 -0.511592D+00 -0.213958D+01 -0.405428D+00 -0.331557D+01
      4   0.160748D+02  0.107586D+02 -0.998524D+01  0.576867D+01  0.476488D+01
      5  -0.875617D+01 -0.491949D+01  0.666795D+01 -0.143494D+01 -0.258597D+01
      6  -0.139123D+02 -0.100979D+02  0.155951D+02 -0.472337D+01 -0.114278D+02
               321           322           323           324           325 
      1   0.584572D+01  0.477049D+01  0.100676D+02 -0.101515D+02 -0.563998D+01
      2  -0.816074D+01 -0.180467D+01 -0.989253D+01  0.241993D+01  0.169979D+02
      3   0.231503D+01 -0.296582D+01 -0.175052D+00  0.773158D+01 -0.113580D+02
      4  -0.300128D+01 -0.903573D+01 -0.526180D+01  0.916308D+01 -0.208127D+02
      5   0.189214D+01  0.633545D+01  0.366996D+01 -0.679376D+01  0.488781D+01
      6   0.883017D+01  0.126301D+02  0.154370D+02 -0.214352D+02 -0.964815D+01
               326           327           328           329           330 
      1   0.209854D+02 -0.442722D+01  0.113772D+02 -0.446997D+02  0.866212D+01
      2  -0.425739D+02  0.667931D+01 -0.229437D+02  0.821464D+02 -0.138488D+02
      3   0.215886D+02 -0.225209D+01  0.115666D+02 -0.374467D+02  0.518671D+01
      4   0.306142D+02 -0.778722D+01  0.182945D+02 -0.349166D+02  0.643889D+01
      5  -0.550349D+01  0.468236D+01 -0.328186D+01  0.561555D+01 -0.220351D+01
      6   0.150170D+02 -0.621024D+01  0.796128D+01 -0.261123D+02  0.123055D+02
               331           332           333           334           335 
      1  -0.173270D+01  0.624847D+01 -0.761927D+01 -0.592795D+01 -0.519977D+01
      2   0.237863D+01 -0.651208D+01  0.101093D+02 -0.780694D+01 -0.566993D+00
      3  -0.645936D+00  0.263609D+00 -0.249000D+01  0.137349D+02  0.576677D+01
      4  -0.405832D+01  0.515652D+01 -0.534445D+01  0.413552D+01  0.183542D+01
      5   0.407253D+01 -0.358214D+01  0.273681D+01 -0.129038D+02 -0.298531D+01
      6  -0.417453D+01  0.169288D+02 -0.744723D+01 -0.757548D+01 -0.660965D+01
               336           337           338           339           340 
      1   0.161498D+02 -0.232062D+01 -0.268479D+01  0.166111D+00  0.912531D+01
      2   0.992864D+01  0.951574D+00 -0.198418D+00 -0.253917D+01  0.520332D+01
      3  -0.260784D+02  0.136904D+01  0.288321D+01  0.237306D+01 -0.143286D+02
      4  -0.302095D+01  0.191043D+01  0.189973D+01 -0.149924D+01 -0.182902D+01
      5   0.116393D+02 -0.217599D+01 -0.294268D+01  0.282638D+01  0.892318D+01
      6   0.115018D+02 -0.420239D+01 -0.366781D+01  0.480818D+01  0.489817D+01
               341           342           343           344           345 
      1   0.173179D+01 -0.149140D+02 -0.121985D+01  0.201470D+01  0.464111D+01
      2   0.505418D+00 -0.109542D+02 -0.259186D+00  0.651009D+00  0.245628D+01
      3  -0.223721D+01  0.258681D+02  0.147904D+01 -0.266571D+01 -0.709739D+01
      4  -0.169137D+01  0.265358D+01  0.267621D+01  0.198503D+01  0.235246D+01
      5   0.247233D+01 -0.117814D+02  0.188568D+01  0.331531D+01  0.275529D+01
      6   0.424940D+01 -0.652931D+01  0.380744D+01  0.885636D+00 -0.431567D+00
               346           347           348           349           350 
      1  -0.340906D+00 -0.155209D+02 -0.184849D+02  0.419720D+00 -0.121435D+02
      2  -0.317618D+01  0.110537D+01 -0.520041D+01 -0.771692D+00 -0.191661D+01
      3   0.351709D+01  0.144155D+02  0.236853D+02  0.351973D+00  0.140601D+02
      4   0.418539D+01  0.928675D+01  0.903902D+01  0.293041D+01  0.387073D+01
      5   0.741570D+01  0.103866D+02  0.149045D+02  0.348924D+01  0.680335D+01
      6   0.461487D+01  0.216943D+02  0.234861D+02  0.214202D+01  0.157997D+02
               351           352           353           354           355 
      1  -0.207668D+02  0.260594D+02 -0.121316D+02 -0.295568D+00 -0.146851D+02
      2  -0.632045D+01 -0.251602D+00 -0.761197D+01  0.158494D+01 -0.134031D+02
      3   0.270873D+02 -0.258078D+02  0.197436D+02 -0.128937D+01  0.280883D+02
      4   0.560331D+01 -0.349440D+02  0.334168D+02 -0.337166D+01  0.473393D+02
      5   0.979213D+01  0.847413D+00 -0.415377D+01  0.428641D+01 -0.188730D-01
      6   0.204756D+02 -0.189955D+01  0.724208D+00 -0.105222D+01 -0.237573D+00
               356           357           358           359           360 
      1   0.296451D+01  0.188840D+01  0.757694D+01 -0.298167D+01 -0.265273D+01
      2   0.330479D+02 -0.340453D+01  0.170712D+01 -0.824454D+01  0.418062D+01
      3  -0.360124D+02  0.151613D+01 -0.928406D+01  0.112262D+02 -0.152789D+01
      4  -0.631774D+02  0.256933D+01 -0.158478D+02  0.180456D+02 -0.908707D+01
      5   0.480647D+01 -0.700058D+01  0.566016D+01 -0.932724D+01  0.542148D+01
      6  -0.120025D+01  0.614502D+01 -0.334062D+01  0.853073D+01 -0.306902D+01
               361           362           363           364           365 
      1  -0.134814D+02 -0.710067D+01 -0.862399D+01 -0.537804D+01 -0.786838D+01
      2   0.811181D+01  0.359535D+01  0.450672D+01  0.555652D+00  0.977684D+01
      3   0.536955D+01  0.350532D+01  0.411726D+01  0.482239D+01 -0.190846D+01
      4   0.177253D+01  0.240923D+01 -0.962850D+00  0.790283D+01 -0.111438D+02
      5  -0.105464D+01 -0.262854D+01 -0.175216D+01 -0.260559D-01 -0.528943D+01
      6   0.341755D+01  0.407227D+01  0.518122D+01  0.146367D+01  0.839380D+01
               366           367           368           369           370 
      1  -0.809526D+01 -0.137136D+02 -0.137046D+02 -0.167277D+02  0.703510D+02
      2   0.595134D+01  0.834430D+01  0.690041D+01  0.260811D+01 -0.408013D+02
      3   0.214392D+01  0.536927D+01  0.680419D+01  0.141195D+02 -0.295497D+02
      4  -0.525682D+01  0.910922D+00 -0.555280D+01 -0.804682D+01 -0.357737D+02
      5  -0.472877D+01  0.407181D+01 -0.943714D+01 -0.168025D+02 -0.505883D+02
      6   0.860034D+01  0.141134D+01  0.126982D+02  0.179333D+02  0.116727D+02
               371           372           373           374           375 
      1  -0.202833D+02 -0.303726D+02 -0.261787D+02  0.126138D+02  0.134629D+02
      2   0.110524D+02  0.210582D+02  0.138306D+02 -0.510219D+01 -0.848033D+01
      3   0.923088D+01  0.931438D+01  0.123481D+02 -0.751160D+01 -0.498253D+01
      4   0.197969D+02  0.205248D+02  0.283774D+02 -0.240738D+02 -0.197399D+02
      5   0.194563D+02  0.355427D+02  0.260323D+02 -0.193041D+02 -0.187351D+02
      6  -0.629839D+01 -0.784628D+01 -0.101930D+02  0.895387D+01  0.992292D+01
               376           377           378           379           380 
      1  -0.265331D+02  0.984823D+01  0.213039D+02 -0.163165D+02  0.562101D+01
      2   0.215388D+02 -0.733767D+01 -0.204878D+02  0.659372D+01 -0.252655D+00
      3   0.499433D+01 -0.251055D+01 -0.816061D+00  0.972282D+01 -0.536836D+01
      4   0.204115D+02 -0.134428D+02 -0.180943D+02  0.511378D+01 -0.368529D+01
      5   0.424418D+02 -0.164590D+02 -0.401601D+02 -0.475373D+01  0.282266D+01
      6  -0.103091D+02  0.791927D+01  0.102157D+02 -0.277646D+01  0.118705D+01
               381           382           383           384           385 
      1  -0.878225D+01  0.128957D+02 -0.914676D+01  0.106818D+02 -0.111139D+02
      2   0.181400D+01 -0.608753D+01  0.239746D+01 -0.377487D+00  0.505720D+01
      3   0.696825D+01 -0.680819D+01  0.674930D+01 -0.103044D+02  0.605671D+01
      4   0.382964D+01 -0.154066D+01  0.150447D+02 -0.105569D+02  0.350993D+01
      5  -0.324583D+00  0.254674D+01 -0.920065D+01  0.145750D+02  0.593628D+01
      6  -0.107617D+01  0.119340D+01 -0.748465D+01  0.604663D+01 -0.166716D+01
               386           387           388           389           390 
      1   0.872788D+01 -0.944794D+01  0.119649D+03  0.385077D+02 -0.132326D+02
      2   0.272256D+00 -0.699098D+01 -0.568253D+02 -0.165866D+02  0.659969D+01
      3  -0.900014D+01  0.164389D+02 -0.628240D+02 -0.219211D+02  0.663289D+01
      4  -0.903944D+01  0.891944D+01  0.469635D+02  0.266142D+02 -0.789001D+01
      5   0.889119D+01 -0.242511D+02 -0.150857D+02 -0.716879D+01  0.126537D+02
      6   0.609779D+01 -0.530378D+01 -0.462618D+01 -0.163421D+01  0.168329D+01
               391           392           393           394           395 
      1   0.583575D+02  0.320848D+02 -0.973696D+01 -0.295794D+02 -0.129984D+02
      2  -0.243705D+02 -0.111708D+02  0.433948D+01  0.145066D+02  0.621887D+01
      3  -0.339870D+02 -0.209140D+02  0.539748D+01  0.150728D+02  0.677952D+01
      4   0.438172D+02  0.320778D+02 -0.437109D+01 -0.161537D+02 -0.708816D+01
      5  -0.114782D+02 -0.400531D+01  0.628942D+01  0.226041D+02  0.672597D+01
      6  -0.288873D+01 -0.262828D+01  0.301129D+01  0.406518D+01  0.352328D+01
               396           397           398           399           400 
      1   0.162525D+02  0.478009D+02 -0.125908D+02  0.181632D+02 -0.300968D+02
      2  -0.885110D+01 -0.250757D+02  0.624862D+01 -0.106540D+02  0.146731D+02
      3  -0.740140D+01 -0.227252D+02  0.634215D+01 -0.750924D+01  0.154237D+02
      4   0.693545D+01 -0.166451D+02  0.141067D+02 -0.103187D+02  0.299452D+02
      5  -0.105408D+02  0.230584D+02 -0.106160D+02  0.146932D+02 -0.225786D+02
      6  -0.235566D+01 -0.478118D+01  0.237456D+01 -0.266371D+01  0.571023D+01
               401           402           403           404           405 
      1   0.198776D+02 -0.163879D+02  0.332565D+02 -0.137623D+02  0.175860D+02
      2  -0.819671D+01  0.861007D+01 -0.205240D+02  0.873551D+01 -0.140661D+02
      3  -0.116809D+02  0.777786D+01 -0.127325D+02  0.502679D+01 -0.351994D+01
      4  -0.291377D+02  0.163542D+02 -0.187052D+02  0.148763D+02 -0.168845D+02
      5   0.166546D+02 -0.211338D+02  0.290822D+02 -0.168531D+02  0.333126D+02
      6  -0.647781D+01  0.615236D+01 -0.549111D+01  0.565569D+01 -0.619526D+01
               406           407           408           409           410 
      1  -0.228598D+01  0.498554D+01 -0.449858D+01  0.151777D+02 -0.688323D+01
      2   0.342519D+01 -0.307239D+01  0.308996D+01 -0.320239D+01  0.217102D+02
      3  -0.113920D+01 -0.191316D+01  0.140862D+01 -0.119753D+02 -0.148270D+02
      4   0.446707D+01  0.353184D+01 -0.556046D+00  0.173524D+02  0.364340D+02
      5  -0.503454D+01  0.683854D+00  0.214780D+01  0.471761D+01 -0.368485D+01
      6  -0.292113D+01 -0.111266D+01  0.975568D+00  0.216304D+01  0.142140D+00
               411           412           413           414           415 
      1   0.525650D+01 -0.197821D+02  0.425168D+01 -0.112558D+01  0.239801D+02
      2  -0.628334D+01  0.795708D+01 -0.903065D+01  0.327701D+01 -0.169015D+02
      3   0.102685D+01  0.118250D+02  0.477897D+01 -0.215142D+01 -0.707861D+01
      4  -0.418790D+01 -0.206085D+01 -0.122546D+02  0.912315D+01  0.169488D+02
      5   0.767784D+01  0.424289D+01  0.954007D+01 -0.400554D+01  0.280474D+02
      6   0.500636D+01  0.175997D+01  0.422201D+01 -0.138874D+01  0.919881D+01
               416           417           418           419           420 
      1   0.667287D+01  0.133371D+02  0.660136D+01  0.299402D+01  0.297783D+01
      2  -0.382259D+01 -0.974286D+01 -0.203798D+01  0.250692D+00 -0.181421D+01
      3  -0.285028D+01 -0.359420D+01 -0.456338D+01 -0.324471D+01 -0.116362D+01
      4   0.129616D+02  0.146781D+02  0.197597D+02  0.220948D+02  0.172997D+02
      5   0.146058D+02  0.244051D+02  0.163465D+02  0.184052D+02  0.174663D+02
      6   0.581919D+01  0.741075D+01  0.956861D+01  0.112305D+02  0.127900D+02
               421           422           423 
      1   0.216797D+02  0.512118D+01  0.494411D+01
      2  -0.182521D+02 -0.655083D+01 -0.165715D+02
      3  -0.342767D+01  0.142965D+01  0.116274D+02
      4   0.248208D+02  0.205817D+02  0.281400D+02
      5   0.406337D+02  0.290947D+02  0.549309D+02
      6   0.158488D+02  0.162502D+02  0.220505D+02
 Leave Link  716 at Fri Jul 23 20:40:11 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.331498D+03 -0.401097D+00 -0.267103D+01
      2  -0.401097D+00  0.265205D+03  0.375224D+00
      3  -0.267103D+01  0.375224D+00  0.246869D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.990595D+00 -0.102831D+01 -0.490991D+02
      2  -0.615422D+00 -0.137655D+02 -0.153478D+01
      3   0.789309D+02 -0.461578D+01  0.138851D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.280462D+01 -0.969905D+02 -0.745832D+01
      2   0.759912D+01  0.190290D+03  0.535265D+00
      3  -0.479449D+01 -0.932995D+02  0.692305D+01
      4   0.318749D+02  0.144231D+02 -0.315025D+02
      5  -0.137747D+02 -0.274901D+02 -0.772354D+01
      6  -0.796699D+01 -0.104077D+02  0.105268D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509177D+01  0.106103D+01  0.894868D+00  0.103228D+01 -0.186174D+01
      2   0.106103D+01 -0.596818D+00  0.958241D-03 -0.186174D+01 -0.642708D+01
      3   0.894868D+00  0.958241D-03  0.158215D+01  0.536768D+00  0.779757D+00
                 6             7             8             9            10 
      1   0.536768D+00  0.262811D+01  0.715043D+00  0.167195D+00  0.905741D+01
      2   0.779757D+00  0.715043D+00  0.727912D+00 -0.406077D+00  0.327981D+01
      3   0.713712D+00  0.167195D+00 -0.406077D+00  0.371954D+01 -0.207875D+00
                11            12            13            14            15 
      1   0.327981D+01 -0.207875D+00  0.982413D+01  0.301985D+01 -0.294621D+01
      2   0.515069D+01 -0.168334D+01  0.301985D+01  0.207607D+00  0.224576D+00
      3  -0.168334D+01  0.124107D+01 -0.294621D+01  0.224576D+00  0.190985D+01
                16            17            18            19            20 
      1  -0.577392D+01 -0.444652D+00  0.281515D+01  0.141199D+02 -0.271012D+01
      2  -0.444652D+00 -0.252685D+01  0.119370D+01 -0.271012D+01  0.262360D+01
      3   0.281515D+01  0.119370D+01 -0.189695D+01  0.490840D+01 -0.124549D+01
                21            22            23            24            25 
      1   0.490840D+01 -0.973065D+01  0.628333D+00  0.323755D+01  0.416266D+01
      2  -0.124549D+01  0.628333D+00 -0.454379D+00 -0.408790D+00  0.260522D+01
      3   0.268259D+01  0.323755D+01 -0.408790D+00 -0.652144D+00 -0.189126D+01
                26            27            28            29            30 
      1   0.260522D+01 -0.189126D+01 -0.652881D+01  0.635019D+00 -0.338217D+01
      2  -0.264509D+01 -0.486450D-01  0.635019D+00  0.661331D+00  0.114148D+01
      3  -0.486450D-01  0.361637D+00 -0.338217D+01  0.114148D+01 -0.324580D+01
                31            32            33            34            35 
      1   0.157108D+01 -0.134259D+01  0.616822D+00 -0.528816D+01  0.136267D+01
      2  -0.134259D+01  0.522612D+01 -0.396612D+00  0.136267D+01  0.633863D+00
      3   0.616822D+00 -0.396612D+00 -0.521889D+00 -0.523276D+01 -0.392353D+00
                36            37            38            39            40 
      1  -0.523276D+01 -0.723753D+01  0.463925D+01  0.949498D+00  0.559587D+01
      2  -0.392353D+00  0.463925D+01 -0.955544D+00 -0.175237D+00 -0.961140D+00
      3  -0.177614D+01  0.949498D+00 -0.175237D+00  0.262485D+01 -0.162868D+00
                41            42            43            44            45 
      1  -0.961140D+00 -0.162868D+00 -0.723137D-01 -0.113016D+00  0.355037D+01
      2  -0.211227D+01  0.816137D+00 -0.113016D+00  0.762037D+00  0.189400D+01
      3   0.816137D+00  0.190818D+01  0.355037D+01  0.189400D+01  0.593626D+00
                46            47            48            49            50 
      1   0.205492D+01 -0.351752D+01  0.569285D+00 -0.599921D+01 -0.103778D+01
      2  -0.351752D+01 -0.630301D+00  0.334090D+00 -0.103778D+01  0.238937D+01
      3   0.569285D+00  0.334090D+00 -0.369009D+01  0.461757D+00 -0.514256D+00
                51            52            53            54            55 
      1   0.461757D+00  0.218544D+01  0.467522D+00 -0.631225D+01  0.252641D+01
      2  -0.514256D+00  0.467522D+00 -0.412647D+00 -0.305031D+01  0.128214D+01
      3  -0.259711D+01 -0.631225D+01 -0.305031D+01  0.834176D+00  0.143883D+00
                56            57            58            59            60 
      1   0.128214D+01  0.143883D+00 -0.110662D+01 -0.620431D+00  0.156060D+01
      2  -0.252748D+01  0.174685D+00 -0.620431D+00  0.998542D+00 -0.882318D-01
      3   0.174685D+00  0.427481D+01  0.156060D+01 -0.882318D-01 -0.862108D+00
                61            62            63            64            65 
      1   0.412283D+01 -0.197297D+01  0.559453D+01 -0.953003D+00 -0.101364D+01
      2  -0.197297D+01  0.932691D+00  0.598999D+00 -0.101364D+01  0.488184D+00
      3   0.559453D+01  0.598999D+00  0.639331D+01  0.161141D+01  0.146349D+01
                66            67            68            69            70 
      1   0.161141D+01  0.165477D+01  0.100133D+01  0.139574D+00  0.207687D-01
      2   0.146349D+01  0.100133D+01 -0.104409D+01  0.830138D+00 -0.833610D+00
      3   0.788862D+00  0.139574D+00  0.830138D+00  0.394436D+01  0.203860D+01
                71            72            73            74            75 
      1  -0.833610D+00  0.203860D+01 -0.497592D+01  0.913776D+00 -0.991392D-01
      2   0.441772D+01  0.279093D+01  0.913776D+00 -0.167557D+01  0.310380D+01
      3   0.279093D+01  0.778126D+01 -0.991392D-01  0.310380D+01  0.271195D+00
                76            77            78            79            80 
      1   0.154090D+01  0.497888D+00 -0.128616D+00  0.455416D+00  0.228423D+01
      2   0.497888D+00  0.116787D+02  0.168068D+01  0.228423D+01  0.115644D+01
      3  -0.128616D+00  0.168068D+01  0.183880D+01 -0.727643D+00  0.207716D+00
                81            82            83            84            85 
      1  -0.727643D+00  0.579529D+00 -0.278738D+01 -0.181719D+01 -0.118367D+01
      2   0.207716D+00 -0.278738D+01 -0.457086D+01 -0.626193D+00 -0.288331D+01
      3  -0.220896D+01 -0.181719D+01 -0.626193D+00  0.171732D+01  0.219445D+00
                86            87            88            89            90 
      1  -0.288331D+01  0.219445D+00 -0.128286D+01  0.470391D-01  0.251064D+01
      2  -0.745184D+01 -0.127071D+01  0.470391D-01  0.667300D+00 -0.110159D+01
      3  -0.127071D+01 -0.162571D+00  0.251064D+01 -0.110159D+01  0.457208D+00
                91            92            93            94            95 
      1  -0.846477D+00 -0.268254D+01  0.185898D+01 -0.921422D+00  0.271064D+01
      2  -0.268254D+01  0.444373D+01 -0.735950D+00  0.271064D+01 -0.738248D+01
      3   0.185898D+01 -0.735950D+00 -0.171949D+01  0.707824D-01  0.140870D+01
                96            97            98            99           100 
      1   0.707824D-01  0.104351D+01 -0.149582D+00 -0.250567D+01  0.598080D+01
      2   0.140870D+01 -0.149582D+00 -0.569844D+00 -0.115172D+01  0.611325D+00
      3  -0.157769D+00 -0.250567D+01 -0.115172D+01 -0.436426D+00 -0.182818D-01
               101           102           103           104           105 
      1   0.611325D+00 -0.182818D-01  0.101723D+01  0.859190D-01 -0.150688D+00
      2   0.191843D+01  0.267920D+01  0.859190D-01  0.113301D+02 -0.166638D+01
      3   0.267920D+01 -0.501585D+00 -0.150688D+00 -0.166638D+01  0.178178D+01
               106           107           108           109           110 
      1   0.194528D+00  0.232826D+01  0.953999D+00 -0.889945D+01  0.376492D+01
      2   0.232826D+01 -0.119263D+01  0.626083D+00  0.376492D+01 -0.602859D+01
      3   0.953999D+00  0.626083D+00  0.224634D+01 -0.252481D+00 -0.130571D+01
               111           112           113           114           115 
      1  -0.252481D+00  0.100534D+02 -0.387658D+01 -0.191474D+01  0.631253D+01
      2  -0.130571D+01 -0.387658D+01  0.458675D+00 -0.735394D-01 -0.630373D+00
      3  -0.651754D+00 -0.191474D+01 -0.735394D-01  0.188114D+01 -0.290052D+01
               116           117           118           119           120 
      1  -0.630373D+00 -0.290052D+01 -0.147765D+02 -0.268013D+01 -0.491241D+01
      2   0.246737D+01  0.117134D+01 -0.268013D+01 -0.275280D+01 -0.115444D+01
      3   0.117134D+01  0.138998D+01 -0.491241D+01 -0.115444D+01 -0.300908D+01
               121           122           123           124           125 
      1  -0.848633D+01 -0.391363D+00  0.312436D+01 -0.441469D+01  0.255607D+01
      2  -0.391363D+00 -0.166421D+00  0.296886D+00  0.255607D+01  0.245534D+01
      3   0.312436D+01  0.296886D+00 -0.875544D+00  0.140491D+01 -0.268293D+00
               126           127           128           129           130 
      1   0.140491D+01 -0.167139D+01  0.192089D+01  0.702784D+00 -0.666021D+00
      2  -0.268293D+00  0.192089D+01  0.275710D+01  0.388632D+00  0.847290D+00
      3  -0.932925D+00  0.702784D+00  0.388632D+00 -0.401099D+01  0.154379D+01
               131           132           133           134           135 
      1   0.847290D+00  0.154379D+01 -0.443928D+01 -0.202168D+01 -0.543328D+01
      2   0.793234D+00  0.198548D+00 -0.202168D+01 -0.691850D+00  0.579447D+00
      3   0.198548D+00 -0.692553D+00 -0.543328D+01  0.579447D+00 -0.677262D+01
               136           137           138           139           140 
      1   0.767895D+00 -0.109657D+01 -0.148822D+01  0.155872D+01 -0.127468D+01
      2  -0.109657D+01 -0.144488D+00  0.128156D+01 -0.127468D+01 -0.119260D+01
      3  -0.148822D+01  0.128156D+01 -0.513507D+00 -0.187876D+00 -0.122119D+01
               141           142           143           144           145 
      1  -0.187876D+00  0.493113D-04 -0.122660D+01 -0.183580D+01  0.436072D+01
      2  -0.122119D+01 -0.122660D+01 -0.429228D+01  0.257685D+01 -0.216093D+01
      3   0.372875D+01 -0.183580D+01  0.257685D+01 -0.784315D+01 -0.850093D+00
               146           147           148           149           150 
      1  -0.216093D+01 -0.850093D+00 -0.475299D+01  0.613230D+01 -0.978736D+00
      2   0.327113D+01 -0.149256D+01  0.613230D+01 -0.525408D+01 -0.397769D+00
      3  -0.149256D+01 -0.117567D+01 -0.978736D+00 -0.397769D+00 -0.134799D+01
               151           152           153           154           155 
      1  -0.151981D+01 -0.277156D+01 -0.470329D+00  0.997045D+00 -0.263399D+01
      2  -0.277156D+01  0.112674D+00 -0.206573D+01 -0.263399D+01 -0.352578D+00
      3  -0.470329D+00 -0.206573D+01 -0.168926D+01 -0.230906D+01  0.336796D+01
               156           157           158           159           160 
      1  -0.230906D+01 -0.444634D+01 -0.396828D+00  0.431940D+01 -0.248303D+01
      2   0.336796D+01 -0.396828D+00  0.641333D+00 -0.144576D+01  0.409879D+01
      3   0.177177D+01  0.431940D+01 -0.144576D+01  0.525767D+00  0.193829D+01
               161           162           163           164           165 
      1   0.409879D+01  0.193829D+01  0.468530D+01  0.303220D+01  0.561974D+00
      2  -0.150653D+01  0.979230D+00  0.303220D+01  0.152362D+01 -0.288116D+01
      3   0.979230D+00 -0.140210D+01  0.561974D+00 -0.288116D+01 -0.357073D+00
               166           167           168           169           170 
      1   0.522172D+01  0.262888D+01 -0.427520D+01  0.701557D+00 -0.439466D+01
      2   0.262888D+01 -0.466193D+00  0.859266D+00 -0.439466D+01  0.656444D+00
      3  -0.427520D+01  0.859266D+00 -0.167970D+01  0.239029D+00 -0.195779D+01
               171           172           173           174           175 
      1   0.239029D+00  0.356219D+01  0.204844D+00  0.629800D+00  0.253687D+01
      2  -0.195779D+01  0.204844D+00  0.413010D+00  0.239270D+01  0.233758D+01
      3   0.502683D+00  0.629800D+00  0.239270D+01  0.191882D+01  0.285411D+01
               176           177           178           179           180 
      1   0.233758D+01  0.285411D+01 -0.225888D-01  0.239254D+01  0.327503D+01
      2   0.320515D+01 -0.402283D+00  0.239254D+01 -0.804167D+00  0.295293D+01
      3  -0.402283D+00  0.225214D+01  0.327503D+01  0.295293D+01  0.274821D+01
               181           182           183           184           185 
      1  -0.223463D-01 -0.489273D+01  0.545742D-01 -0.285872D-01 -0.396676D+00
      2  -0.489273D+01 -0.232002D+00 -0.143014D+01 -0.396676D+00 -0.941112D+01
      3   0.545742D-01 -0.143014D+01  0.249949D+00 -0.471617D+00  0.433226D+00
               186           187           188           189           190 
      1  -0.471617D+00 -0.261163D+00 -0.213594D+01  0.252703D+00  0.853871D+01
      2   0.433226D+00 -0.213594D+01  0.149661D+00 -0.361056D+01 -0.165574D+01
      3  -0.186979D+01  0.252703D+00 -0.361056D+01  0.225027D+00  0.144828D+00
               191           192           193           194           195 
      1  -0.165574D+01  0.144828D+00 -0.466550D+01  0.126979D+01 -0.102848D+01
      2   0.566603D+00  0.469971D+00  0.126979D+01 -0.981505D+01 -0.214588D+01
      3   0.469971D+00  0.143007D+01 -0.102848D+01 -0.214588D+01 -0.274040D+01
               196           197           198           199           200 
      1  -0.351623D+01  0.630122D+00 -0.288142D-01 -0.882843D+01 -0.788300D+00
      2   0.630122D+00 -0.142611D+01 -0.282629D+01 -0.788300D+00 -0.788234D+00
      3  -0.288142D-01 -0.282629D+01 -0.634560D+01 -0.138981D+00  0.335269D+00
               201           202           203           204           205 
      1  -0.138981D+00 -0.321476D+01 -0.134871D+01 -0.833264D+00  0.395574D+01
      2   0.335269D+00 -0.134871D+01 -0.852856D+01  0.224393D+01  0.515021D+00
      3  -0.181084D+01 -0.833264D+00  0.224393D+01 -0.218855D+01 -0.219699D+00
               206           207           208           209           210 
      1   0.515021D+00 -0.219699D+00 -0.216530D+01  0.898903D+00  0.237968D+01
      2   0.194795D+01 -0.250726D+01  0.898903D+00 -0.823412D+00 -0.127061D+01
      3  -0.250726D+01  0.720526D+01  0.237968D+01 -0.127061D+01 -0.402844D+01
               211           212           213           214           215 
      1   0.832029D+00 -0.561746D+00 -0.632254D+00  0.214940D+01 -0.372315D+00
      2  -0.561746D+00  0.589934D+00  0.522942D+00 -0.372315D+00  0.671041D+00
      3  -0.632254D+00  0.522942D+00 -0.489145D-01 -0.229488D+01  0.243219D+00
               216           217           218           219           220 
      1  -0.229488D+01  0.322934D+00 -0.372308D+00  0.998524D-01 -0.107237D+01
      2   0.243219D+00 -0.372308D+00  0.300915D+00 -0.201398D-01  0.855232D+00
      3   0.391600D+01  0.998524D-01 -0.201398D-01 -0.788859D+00 -0.113873D+01
               221           222           223           224           225 
      1   0.855232D+00 -0.113873D+01  0.577988D+00 -0.184425D+00  0.238309D-01
      2  -0.325690D+01  0.325711D+01 -0.184425D+00  0.222049D+01 -0.264639D+01
      3   0.325711D+01 -0.429624D+01  0.238309D-01 -0.264639D+01  0.436599D+01
               226           227           228           229           230 
      1  -0.137721D+01 -0.559717D+00 -0.958064D+00 -0.148297D+01 -0.552854D-01
      2  -0.559717D+00 -0.376036D+00  0.143418D+00 -0.552854D-01  0.893413D+00
      3  -0.958064D+00  0.143418D+00 -0.929476D+00 -0.335566D-01 -0.744000D+00
               231           232           233           234           235 
      1  -0.335566D-01 -0.336712D+01 -0.470494D+00  0.727423D+00  0.769059D+00
      2  -0.744000D+00 -0.470494D+00 -0.112594D+01  0.106156D+01  0.924007D+00
      3  -0.580112D+00  0.727423D+00  0.106156D+01 -0.546396D+01  0.370900D-01
               236           237           238           239           240 
      1   0.924007D+00  0.370900D-01  0.274480D+01  0.187804D+01 -0.667079D+00
      2   0.801271D+00 -0.883261D-01  0.187804D+01  0.882618D+01 -0.117575D+01
      3  -0.883261D-01 -0.223458D+00 -0.667079D+00 -0.117575D+01  0.809318D+00
               241           242           243           244           245 
      1   0.201883D+00 -0.584459D-02  0.137071D+00  0.594487D+01  0.208337D+01
      2  -0.584459D-02  0.151181D-02  0.970077D+00  0.208337D+01  0.122463D+01
      3   0.137071D+00  0.970077D+00 -0.449592D+00 -0.344516D+01 -0.105742D+01
               246           247           248           249           250 
      1  -0.344516D+01  0.250170D+01  0.190742D+01 -0.119034D+01 -0.571539D+01
      2  -0.105742D+01  0.190742D+01  0.119951D+01 -0.142532D+01 -0.173395D+01
      3   0.251727D+01 -0.119034D+01 -0.142532D+01  0.138366D+01  0.490296D+01
               251           252           253           254           255 
      1  -0.173395D+01  0.490296D+01  0.419046D+01  0.202539D+01  0.185413D+01
      2  -0.166629D+01  0.220100D+01  0.202539D+01  0.119188D+01  0.644987D+00
      3   0.220100D+01 -0.485004D+01  0.185413D+01  0.644987D+00  0.149246D+01
               256           257           258           259           260 
      1   0.278195D+01  0.182087D+01  0.796468D+00  0.404363D+01  0.147849D+01
      2   0.182087D+01  0.156204D+01  0.116652D+01  0.147849D+01  0.186086D+01
      3   0.796468D+00  0.116652D+01  0.116942D+01  0.295353D+01  0.169200D+01
               261           262           263           264           265 
      1   0.295353D+01 -0.220057D+01 -0.124984D+01 -0.937087D+00 -0.174059D+01
      2   0.169200D+01 -0.124984D+01 -0.510900D+00 -0.229322D+00 -0.208863D+00
      3   0.296628D+01 -0.937087D+00 -0.229322D+00 -0.121438D+01 -0.620400D-01
               266           267           268           269           270 
      1  -0.208863D+00 -0.620400D-01 -0.134710D+01 -0.190129D+00 -0.440241D+00
      2  -0.872313D+00 -0.972610D+00 -0.190129D+00 -0.160406D+01 -0.151789D+01
      3  -0.972610D+00 -0.118347D+01 -0.440241D+00 -0.151789D+01 -0.358682D+01
               271           272           273           274           275 
      1   0.131253D+02 -0.414956D+01 -0.157115D+01 -0.408134D+01  0.300727D+01
      2  -0.414956D+01  0.235241D+01  0.337262D+00  0.300727D+01 -0.184982D+01
      3  -0.157115D+01  0.337262D+00  0.762659D+00  0.560552D+00 -0.392414D+00
               276           277           278           279           280 
      1   0.560552D+00 -0.570385D+00  0.311133D+00  0.131415D+01  0.819859D+01
      2  -0.392414D+00  0.311133D+00 -0.163017D+00 -0.813950D+00 -0.128750D+01
      3  -0.593798D+00  0.131415D+01 -0.813950D+00 -0.355939D+00  0.383620D+01
               281           282           283           284           285 
      1  -0.128750D+01  0.383620D+01  0.336111D+00  0.137255D+01 -0.993830D-01
      2   0.712195D+00 -0.843150D+00  0.137255D+01 -0.902764D+00  0.881907D+00
      3  -0.843150D+00  0.302208D+01 -0.993830D-01  0.881907D+00  0.308700D+00
               286           287           288           289           290 
      1   0.694881D+01 -0.177018D+01  0.480986D+01 -0.453156D+00 -0.101407D+01
      2  -0.177018D+01  0.107218D+01 -0.103178D+01 -0.101407D+01 -0.619638D+00
      3   0.480986D+01 -0.103178D+01  0.513757D+01  0.626688D-01  0.597196D-01
               291           292           293           294           295 
      1   0.626688D-01 -0.275232D+01  0.183900D+01 -0.136214D+00  0.352602D+00
      2   0.597196D-01  0.183900D+01 -0.744707D+01  0.869434D+00 -0.266555D+00
      3   0.435862D-01 -0.136214D+00  0.869434D+00 -0.899832D+00  0.771585D+00
               296           297           298           299           300 
      1  -0.266555D+00  0.771585D+00  0.269637D+01  0.328026D+01  0.978149D+00
      2   0.150842D+00 -0.825496D+00  0.328026D+01  0.596571D+01  0.109737D+01
      3  -0.825496D+00  0.361507D+00  0.978149D+00  0.109737D+01  0.589441D+00
               301           302           303           304           305 
      1   0.222850D+01  0.305922D+01  0.673941D+00  0.530148D+00  0.672146D+00
      2   0.305922D+01  0.105424D+02  0.162806D+01  0.672146D+00  0.100160D+01
      3   0.673941D+00  0.162806D+01  0.106608D+01  0.452973D+00  0.182301D+01
               306           307           308           309           310 
      1   0.452973D+00 -0.310779D+01  0.146365D+01  0.157234D+01  0.653339D+00
      2   0.182301D+01  0.146365D+01 -0.130727D+01 -0.984092D+00 -0.766139D+00
      3   0.685314D+00  0.157234D+01 -0.984092D+00 -0.173371D+01 -0.490282D+00
               311           312           313           314           315 
      1  -0.766139D+00 -0.490282D+00  0.165730D+01 -0.101360D+01 -0.163470D+01
      2   0.182905D+01  0.123702D+01 -0.101360D+01  0.214066D+01  0.153811D+01
      3   0.123702D+01  0.857352D+00 -0.163470D+01  0.153811D+01  0.273562D+01
               316           317           318           319           320 
      1   0.333137D+01  0.134214D+01 -0.162840D+01  0.376480D+00  0.735660D+00
      2   0.134214D+01  0.125379D+01 -0.985431D+00  0.735660D+00  0.160213D+01
      3  -0.162840D+01 -0.985431D+00  0.183113D+01 -0.441172D+00 -0.117103D+01
               321           322           323           324           325 
      1  -0.441172D+00 -0.154234D+01 -0.103419D+01  0.161890D+01 -0.253080D+01
      2  -0.117103D+01 -0.103419D+01 -0.201304D+01  0.150209D+01  0.310024D+01
      3   0.777990D+00  0.161890D+01  0.150209D+01 -0.277147D+01 -0.989986D+00
               326           327           328           329           330 
      1   0.310024D+01 -0.989986D+00  0.203588D+01 -0.286940D+01  0.700546D+00
      2  -0.589648D+01  0.117894D+01 -0.286940D+01  0.105293D+02 -0.176804D+01
      3   0.117894D+01 -0.610020D+00  0.700546D+00 -0.176804D+01  0.112459D+01
               331           332           333           334           335 
      1  -0.526906D+00  0.713735D+00 -0.430999D+00  0.279566D+01  0.962652D+00
      2   0.713735D+00 -0.117364D+01  0.186886D+01  0.962652D+00  0.801209D+00
      3  -0.430999D+00  0.186886D+01 -0.761947D+00 -0.244880D+01 -0.114419D+01
               336           337           338           339           340 
      1  -0.244880D+01  0.884672D+00  0.570558D+00 -0.490723D+00 -0.224907D+01
      2  -0.114419D+01  0.570558D+00  0.582013D+00 -0.490601D+00 -0.317819D+00
      3   0.394394D+01 -0.490723D+00 -0.490601D+00 -0.234847D+00  0.226518D+01
               341           342           343           344           345 
      1  -0.317819D+00  0.226518D+01 -0.308116D+00 -0.458946D+00 -0.270123D+00
      2  -0.656761D+00  0.122670D+00 -0.458946D+00 -0.298452D+00 -0.221951D-01
      3   0.122670D+00 -0.362704D+01 -0.270123D+00 -0.221951D-01  0.811480D+00
               346           347           348           349           350 
      1  -0.108849D+01 -0.742575D+00 -0.103878D+01 -0.550519D+00 -0.160066D+00
      2  -0.742575D+00 -0.323747D+01 -0.323420D+01 -0.160066D+00 -0.230211D+01
      3  -0.103878D+01 -0.323420D+01 -0.429985D+01  0.526820D-01 -0.262466D+01
               351           352           353           354           355 
      1   0.526820D-01 -0.475956D+01  0.284940D+01  0.371486D-01  0.499043D+01
      2  -0.262466D+01  0.284940D+01 -0.311253D+01  0.333506D+00 -0.489075D+01
      3  -0.413718D+01  0.371486D-01  0.333506D+00 -0.251944D+00 -0.277938D+00
               356           357           358           359           360 
      1  -0.489075D+01 -0.277938D+00 -0.205575D+01  0.172732D+01 -0.466056D+00
      2   0.766699D+01 -0.183456D+00  0.172732D+01 -0.203668D+01  0.128331D+01
      3  -0.183456D+00  0.993440D+00 -0.466056D+00  0.128331D+01 -0.648759D+00
               361           362           363           364           365 
      1   0.227151D+01  0.639967D+00  0.876768D+00  0.132096D+01 -0.320775D+00
      2   0.639967D+00  0.562504D+00  0.751896D+00 -0.320775D+00  0.223624D+01
      3   0.876768D+00  0.751896D+00  0.101074D+01  0.113838D+00  0.139220D+01
               366           367           368           369           370 
      1   0.113838D+00  0.206836D+01  0.747247D+00  0.124283D+00 -0.793379D+01
      2   0.139220D+01  0.747247D+00  0.168763D+01  0.227363D+01  0.251905D+01
      3   0.121864D+01  0.124283D+00  0.227363D+01  0.376246D+01  0.389344D+01
               371           372           373           374           375 
      1   0.251905D+01  0.389344D+01  0.364786D+01 -0.222772D+01 -0.219511D+01
      2  -0.143154D+01 -0.168549D+01 -0.222772D+01  0.208385D+01  0.178729D+01
      3  -0.168549D+01 -0.281292D+01 -0.219511D+01  0.178729D+01  0.163908D+01
               376           377           378           379           380 
      1   0.377446D+01 -0.160627D+01 -0.365227D+01  0.210682D+01 -0.881094D+00
      2  -0.160627D+01  0.118568D+01  0.146208D+01 -0.881094D+00  0.790071D+00
      3  -0.365227D+01  0.146208D+01  0.364994D+01  0.968855D+00 -0.553605D+00
               381           382           383           384           385 
      1   0.968855D+00 -0.150884D+01  0.574664D+00 -0.595298D+00  0.143265D+01
      2  -0.553605D+00  0.574664D+00 -0.212964D+01  0.138500D+01 -0.440105D+00
      3   0.459977D+00 -0.595298D+00  0.138500D+01 -0.185485D+01 -0.255821D+00
               386           387           388           389           390 
      1  -0.440105D+00 -0.255821D+00 -0.107448D+02 -0.373159D+01  0.130237D+01
      2   0.134625D+01 -0.140373D+01 -0.373159D+01 -0.200370D+01  0.601216D+00
      3  -0.140373D+01  0.330487D+01  0.130237D+01  0.601216D+00 -0.856178D+00
               391           392           393           394           395 
      1  -0.581807D+01 -0.345538D+01  0.109544D+01  0.290086D+01  0.143893D+01
      2  -0.345538D+01 -0.268328D+01  0.337462D+00  0.143893D+01  0.574114D+00
      3   0.109544D+01  0.337462D+00 -0.486048D+00 -0.178566D+01 -0.492523D+00
               396           397           398           399           400 
      1  -0.178566D+01 -0.441128D+01  0.135461D+01 -0.189331D+01  0.299232D+01
      2  -0.492523D+00  0.135461D+01 -0.103905D+01  0.829508D+00 -0.240569D+01
      3   0.865217D+00 -0.189331D+01  0.829508D+00 -0.109074D+01  0.187461D+01
               401           402           403           404           405 
      1  -0.240569D+01  0.187461D+01 -0.354354D+01  0.160342D+01 -0.226398D+01
      2   0.256344D+01 -0.142732D+01  0.160342D+01 -0.133207D+01  0.146346D+01
      3  -0.142732D+01  0.183694D+01 -0.226398D+01  0.146346D+01 -0.293851D+01
               406           407           408           409           410 
      1   0.364360D+00 -0.104304D+01  0.105699D+01 -0.313572D+01 -0.181943D+01
      2  -0.104304D+01 -0.245937D-01 -0.134574D+00 -0.181943D+01 -0.498714D+01
      3   0.105699D+01 -0.134574D+00  0.112636D+00 -0.384361D+00  0.681344D+00
               411           412           413           414           415 
      1  -0.384361D+00  0.279830D+01 -0.528808D-01 -0.336548D+00 -0.352423D+01
      2   0.681344D+00 -0.528808D-01  0.142765D+01 -0.120331D+01 -0.142159D+01
      3  -0.948892D+00 -0.336548D+00 -0.120331D+01  0.564991D+00 -0.236798D+01
               416           417           418           419           420 
      1  -0.142159D+01 -0.236798D+01 -0.205117D+01 -0.206471D+01 -0.154880D+01
      2  -0.107517D+01 -0.136283D+01 -0.206471D+01 -0.256278D+01 -0.190196D+01
      3  -0.136283D+01 -0.192486D+01 -0.154880D+01 -0.190196D+01 -0.189472D+01
               421           422           423 
      1  -0.467736D+01 -0.238150D+01 -0.377571D+01
      2  -0.238150D+01 -0.228631D+01 -0.312995D+01
      3  -0.377571D+01 -0.312995D+01 -0.587862D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.726153D+01  0.216095D+00 -0.401157D+01  0.308388D+01  0.723471D+01
      2   0.126750D+01  0.279840D+01  0.116348D+02  0.893506D+01  0.466040D+01
      3  -0.183309D+02  0.355077D+01  0.262538D+01  0.159957D+02  0.212012D+02
                 6             7             8             9            10 
      1  -0.523411D+01  0.209542D+01  0.626185D+01 -0.124124D+02  0.398276D+01
      2   0.415402D+01 -0.949604D+01 -0.307761D+01  0.234128D+02 -0.182435D+02
      3  -0.234763D+01  0.124435D+01  0.959658D+00  0.112880D+01  0.712815D+01
                11            12            13            14            15 
      1   0.148025D+02 -0.872200D+00  0.240406D+02 -0.428556D+01 -0.404733D+01
      2  -0.132792D+02  0.211341D+01 -0.365552D+02 -0.560198D+01  0.105682D+02
      3  -0.124595D+02  0.628864D+01  0.524305D+01  0.838036D+01 -0.103528D+02
                16            17            18            19            20 
      1   0.170060D+01 -0.787095D+01  0.995891D+01 -0.673909D+01  0.112452D+02
      2   0.707139D+01  0.130847D+01 -0.178150D+02 -0.266521D+02  0.140966D+01
      3  -0.362488D+01  0.525419D+01  0.196213D+01  0.153693D+02 -0.103709D+02
                21            22            23            24            25 
      1  -0.600509D+01 -0.693079D+00 -0.346865D+00 -0.142939D+01  0.408757D+01
      2  -0.552791D+01  0.278598D+02 -0.105516D+02 -0.140985D+02 -0.319484D+02
      3   0.576024D+01 -0.947661D+00  0.156604D+01  0.115475D+02  0.406401D+01
                26            27            28            29            30 
      1  -0.627304D+01 -0.297700D+01 -0.143169D+01  0.268095D+01 -0.319294D+01
      2  -0.548457D+01  0.559177D+01 -0.169202D+00  0.155705D+01 -0.587186D+01
      3   0.146955D+02 -0.340042D+01  0.358287D+01 -0.622088D+01 -0.392347D+00
                31            32            33            34            35 
      1   0.691348D+00  0.986341D+01 -0.539211D+01 -0.859994D+01  0.144184D+01
      2  -0.290021D+01  0.445753D+01 -0.519829D+01 -0.182004D+02 -0.296315D+01
      3   0.134871D+02 -0.279280D+02 -0.101573D+01  0.298945D+00 -0.572076D+01
                36            37            38            39            40 
      1  -0.510270D+00 -0.374859D+01  0.316676D+00  0.248728D+01  0.567862D+00
      2   0.857524D+00 -0.259517D+01  0.291138D+01  0.181482D+02  0.196912D+01
      3   0.854406D+01 -0.203420D+02 -0.251251D+01  0.269882D-01  0.160073D+01
                41            42            43            44            45 
      1   0.247862D+01 -0.146186D+01  0.322800D+01  0.353680D+01 -0.225566D+01
      2   0.515213D+01  0.108376D+02  0.188610D+02  0.113935D+02  0.565159D+01
      3   0.152971D+02 -0.545350D+01 -0.132149D+01 -0.482975D+01 -0.133770D+02
                46            47            48            49            50 
      1   0.484024D+01 -0.250839D+00  0.369175D+01 -0.190051D+01 -0.346479D+01
      2   0.590853D+01 -0.131345D+01 -0.185684D+02 -0.165071D+01 -0.423161D+01
      3   0.250812D+02 -0.416057D+01 -0.167561D+01 -0.996848D+00 -0.160252D+02
                51            52            53            54            55 
      1   0.234913D+01  0.680091D+01  0.741925D+01  0.136527D+01  0.115597D+01
      2  -0.126430D+02 -0.381217D+02 -0.161038D+02  0.126660D+00 -0.886168D+01
      3   0.444731D+01  0.670090D+00  0.317291D+01  0.822697D+01  0.169262D+02
                56            57            58            59            60 
      1  -0.111455D+02  0.757601D+00 -0.993380D+01 -0.396318D+01 -0.315877D+01
      2  -0.289763D+01  0.157033D+02  0.153415D+02  0.534290D+01 -0.425610D+01
      3   0.609956D+01 -0.149989D+01  0.259527D+01  0.244492D+01  0.242775D+01
                61            62            63            64            65 
      1  -0.124266D+02  0.841332D+01 -0.488251D+01 -0.757769D+01 -0.477811D+01
      2   0.622048D+01  0.531899D+01  0.607150D+01  0.218014D+02  0.668984D+01
      3   0.260855D+01 -0.555851D+01  0.593198D+01 -0.130914D+02 -0.161027D+01
                66            67            68            69            70 
      1  -0.562802D+00  0.616308D+01 -0.989665D+01  0.270339D+01 -0.718810D+01
      2   0.410732D+01  0.920566D+00  0.391051D+01  0.705723D+01  0.124693D+01
      3  -0.726282D+00  0.473772D+00  0.596110D+01 -0.103594D+02 -0.189335D+00
                71            72            73            74            75 
      1   0.991280D+01 -0.650893D+01  0.203688D+02 -0.125723D+02  0.103377D+02
      2   0.775589D+01  0.106121D+02 -0.298104D+00 -0.271181D+01  0.240918D+01
      3  -0.617815D+01 -0.166018D+01 -0.196043D+02  0.226131D+01 -0.789644D+01
                76            77            78            79            80 
      1   0.577136D+01  0.375257D+02  0.276171D+01  0.101549D+02  0.757870D+01
      2  -0.785079D+01  0.555301D+01  0.518353D+01  0.427159D+01  0.499449D+01
      3  -0.220376D+00 -0.306615D+02 -0.525159D+01 -0.129912D+02  0.215183D+01
                81            82            83            84            85 
      1   0.132091D+02  0.260295D+01 -0.113847D+01 -0.121972D+02 -0.788348D+01
      2  -0.166328D+01 -0.271519D+01  0.392393D+01  0.593367D+01  0.165970D+01
      3  -0.127734D+02  0.658296D+01 -0.163181D+02 -0.703384D+01 -0.113159D+00
                86            87            88            89            90 
      1  -0.117152D+02 -0.482591D+01 -0.150303D+02  0.696109D+01 -0.100447D+02
      2  -0.566824D+00  0.440535D+00  0.974427D+00  0.107371D+01 -0.286296D+01
      3  -0.431073D+01  0.366934D+01 -0.651952D+01  0.662320D+00  0.145984D+02
                91            92            93            94            95 
      1  -0.260091D+01 -0.420291D+00  0.123615D+02 -0.716987D+01  0.110658D+02
      2  -0.222422D+01 -0.407032D+01  0.548632D+01 -0.649236D+00 -0.914348D+00
      3  -0.742606D+01 -0.165847D+02  0.744350D+01  0.220372D+00  0.487867D+01
                96            97            98            99           100 
      1  -0.500094D+01  0.155385D+02  0.733230D+01  0.102767D+02 -0.207665D+02
      2  -0.532219D+00 -0.130414D-01 -0.158647D+01 -0.297036D+01  0.439051D+01
      3   0.295461D+01  0.572789D+01  0.236222D+00 -0.145656D+02  0.216241D+02
               101           102           103           104           105 
      1  -0.107720D+02 -0.101205D+02  0.450866D+01 -0.368325D+02  0.380655D+01
      2   0.462774D+01  0.214435D+01  0.651897D+01  0.696202D+01 -0.458338D+01
      3   0.147409D+01  0.631121D+01 -0.140104D+00  0.303304D+02 -0.519641D+01
               106           107           108           109           110 
      1  -0.102116D+02  0.532417D+01 -0.150731D+02 -0.194575D+00  0.134773D+02
      2   0.500360D+01 -0.581997D+01  0.618346D+00 -0.182015D+02  0.106659D+02
      3   0.137072D+02  0.295946D+01  0.142497D+02 -0.711680D+01 -0.144168D+02
               111           112           113           114           115 
      1  -0.360492D+00  0.250965D+02  0.169410D+01 -0.298352D+01 -0.374706D+01
      2  -0.104276D+01  0.311710D+02 -0.930987D+01 -0.942513D+01  0.624995D+01
      3  -0.586513D+01  0.239340D+01 -0.102517D+02 -0.735872D+01  0.771584D+00
               116           117           118           119           120 
      1  -0.747043D+01 -0.989887D+01  0.944831D+01  0.114514D+02  0.558135D+01
      2  -0.101558D+01 -0.173740D+02 -0.288526D+02 -0.467824D+01 -0.524130D+01
      3   0.511936D+01 -0.161472D+01 -0.137052D+02 -0.116580D+02 -0.502200D+01
               121           122           123           124           125 
      1  -0.268996D+01  0.144006D+01 -0.244651D+01 -0.595925D+01 -0.650936D+01
      2  -0.261189D+02 -0.805578D+01  0.169272D+02 -0.308408D+02  0.711498D+01
      3   0.190112D+01  0.151953D+01  0.110822D+02 -0.181432D+01  0.145527D+02
               126           127           128           129           130 
      1   0.469006D+01 -0.512626D+01 -0.119395D+02 -0.294755D+00 -0.108432D+02
      2   0.780017D+01 -0.106401D+02  0.493746D+01  0.180289D+02 -0.138519D+02
      3   0.227975D+01 -0.135522D+02  0.715937D+01  0.138417D+01  0.369757D+01
               131           132           133           134           135 
      1   0.346510D+01 -0.368337D+01  0.142701D+02  0.757624D+01  0.552701D+01
      2   0.537610D+01  0.397049D+01  0.396803D+01 -0.606877D+01  0.645153D+01
      3  -0.210392D+01  0.163213D+01 -0.424117D+01 -0.509819D+01 -0.538664D+01
               136           137           138           139           140 
      1   0.837262D+01 -0.503852D+01  0.945703D+00  0.712888D+01  0.121417D+02
      2   0.229222D+02 -0.712845D+01  0.374814D+01 -0.166741D+01  0.399652D+01
      3   0.121683D+02 -0.181165D+01  0.476575D+00 -0.634296D+00 -0.786116D+01
               141           142           143           144           145 
      1   0.311698D+01  0.800636D+01  0.106233D+02  0.736672D+01  0.478131D+01
      2  -0.948511D+01  0.283899D+01 -0.828405D+01  0.106200D+02  0.474719D+01
      3  -0.100332D+02  0.438453D+00 -0.623776D+01  0.100052D+01  0.288890D+01
               146           147           148           149           150 
      1   0.541239D+01  0.232012D+01  0.662572D+01 -0.125702D+00  0.100367D+00
      2   0.522823D+01  0.101212D+02 -0.328735D+01  0.238393D+01  0.787221D+01
      3   0.347501D+01 -0.107481D+02  0.163648D+02 -0.621537D+01 -0.419331D+01
               151           152           153           154           155 
      1  -0.303009D+01  0.999467D+01  0.583806D+01 -0.416610D+01 -0.312190D+01
      2  -0.355684D+01  0.152825D+02  0.157537D+02  0.887227D+01 -0.134432D+02
      3  -0.116962D+02 -0.592304D+01 -0.113955D+02 -0.160304D+02 -0.666602D+01
               156           157           158           159           160 
      1   0.485383D+01 -0.552380D+01  0.142095D+01 -0.526424D+01  0.715384D+01
      2  -0.236686D+01 -0.182256D+02  0.764744D+01 -0.110748D+02 -0.850192D+01
      3   0.171711D+02 -0.486222D+01  0.433288D+01 -0.319664D+01  0.217500D+02
               161           162           163           164           165 
      1   0.448583D-02  0.276404D+01  0.746661D+00 -0.144727D+01 -0.150792D+01
      2  -0.126001D+02  0.422523D+01 -0.262373D+01  0.184773D+02  0.477090D+01
      3  -0.343125D+01  0.834559D+01  0.178696D+02  0.552327D+01 -0.176137D+02
               166           167           168           169           170 
      1  -0.192767D+01 -0.102564D+01 -0.346691D+01 -0.324074D+01  0.286091D+00
      2   0.288468D+02 -0.352279D+01  0.948889D+01 -0.293886D+01  0.105910D+02
      3   0.174637D+02 -0.368588D+01  0.552518D+01 -0.279092D+02  0.359150D+01
               171           172           173           174           175 
      1  -0.371385D+00 -0.117362D+01  0.339460D+01  0.583734D+00  0.245148D+01
      2  -0.206309D+01  0.560098D+01 -0.938718D+01 -0.483253D+01 -0.728694D+01
      3  -0.109803D+02 -0.212261D+01 -0.591422D+00  0.998305D+01  0.138344D+02
               176           177           178           179           180 
      1  -0.936871D+01  0.180786D+01  0.585803D+01  0.117420D+02  0.242376D+01
      2   0.121461D+02 -0.725133D+01 -0.208417D+02 -0.132628D+02 -0.507658D+01
      3   0.142582D+02 -0.996205D+01  0.114548D+02 -0.935636D+01  0.105681D+02
               181           182           183           184           185 
      1  -0.142561D+00  0.127093D+02  0.831996D+00 -0.256139D+02 -0.167097D+01
      2   0.471568D+02  0.110671D+01  0.295076D+02  0.322524D+01 -0.175228D+01
      3  -0.242463D+01 -0.191983D+02  0.613067D+00  0.682450D+02 -0.135011D+01
               186           187           188           189           190 
      1  -0.450930D+02 -0.426433D+00  0.238002D+02 -0.169162D+01  0.410937D+01
      2   0.731292D-01 -0.506230D+02  0.165403D+01 -0.233130D+02  0.270466D+01
      3   0.881820D+01 -0.149281D+01 -0.168863D+02 -0.683381D+00 -0.101194D+02
               191           192           193           194           195 
      1  -0.510758D+01  0.110694D+01 -0.755586D+01  0.685173D+01 -0.997451D+01
      2  -0.923947D+00  0.530658D+01 -0.525958D+00  0.889490D+00 -0.229647D+01
      3  -0.755063D+01 -0.195784D+01  0.984817D+01  0.650998D+01  0.668075D+01
               196           197           198           199           200 
      1  -0.858578D+00  0.904658D+01 -0.482293D+01 -0.467508D+01 -0.607952D+01
      2  -0.720151D+01 -0.570635D+00  0.793237D+00  0.302440D+01  0.309741D+00
      3  -0.132996D+01  0.498687D+01  0.131311D+01  0.877960D+01 -0.900611D+01
               201           202           203           204           205 
      1  -0.188160D+01 -0.806492D+01 -0.442545D+01 -0.843983D+01  0.850505D+00
      2   0.712167D+01 -0.120194D+01  0.149751D+01  0.202957D+01 -0.589698D+01
      3   0.220344D+01  0.724153D+01 -0.503863D+01  0.670804D+01  0.243700D+01
               206           207           208           209           210 
      1   0.104432D+02  0.511677D+01  0.159610D+01 -0.267943D+01  0.203108D+00
      2   0.553565D-02  0.145917D+00  0.101708D+02 -0.412195D+01 -0.874560D+01
      3   0.625794D+01 -0.785231D+00 -0.176047D+01  0.665143D-01  0.310542D+01
               211           212           213           214           215 
      1  -0.161784D+01  0.109828D+01  0.113329D+01  0.162900D+01  0.225300D+01
      2  -0.580424D+01  0.250571D+01  0.165250D+01 -0.117039D+02  0.752505D+00
      3   0.301645D+01 -0.796484D+00 -0.716734D+00  0.358430D+01  0.661521D+00
               216           217           218           219           220 
      1  -0.224044D+01 -0.622812D+00  0.185878D+01 -0.459209D+00  0.234654D+01
      2   0.919988D+01 -0.238638D+00  0.660668D+00 -0.153453D+01  0.191649D+01
      3  -0.226687D+01  0.744127D+00 -0.187138D+01 -0.216937D+00  0.747979D+00
               221           222           223           224           225 
      1  -0.832500D+01  0.536027D+01 -0.405774D-01  0.730189D+01 -0.471770D+01
      2   0.355645D+01 -0.483651D+01 -0.264765D+01 -0.507806D+01  0.748698D+01
      3   0.541991D+01 -0.565510D+01 -0.645488D+00 -0.505408D+01  0.507457D+01
               226           227           228           229           230 
      1   0.377405D+01 -0.863373D-01  0.241141D+01 -0.758679D+00  0.608159D+00
      2  -0.949205D+01  0.439747D-01 -0.646697D+01 -0.217174D+01 -0.428526D+01
      3  -0.210738D+01  0.127958D+00 -0.310772D+01 -0.176075D+01 -0.322206D+01
               231           232           233           234           235 
      1   0.187923D+01 -0.119744D+01  0.137308D+01  0.130469D+02 -0.143061D+01
      2  -0.234008D+01 -0.491330D+01  0.374894D+01 -0.250502D+02  0.229608D+01
      3   0.312619D+01 -0.469841D+01  0.179838D+01 -0.320604D+01 -0.198979D+01
               236           237           238           239           240 
      1  -0.895638D+00  0.313176D+00  0.283108D+00 -0.725642D+01 -0.310189D+01
      2   0.515755D+00 -0.269334D+00 -0.402453D+00 -0.527990D+01  0.329600D+01
      3  -0.721533D+00  0.417902D+00  0.413042D+01 -0.295825D+02  0.199377D+01
               241           242           243           244           245 
      1   0.134819D+00 -0.116336D+01  0.371221D+00  0.196216D+01 -0.769125D+00
      2  -0.546918D+00  0.350885D+01 -0.254239D+01 -0.119130D+02 -0.364439D+01
      3   0.992514D+00 -0.803181D+00 -0.340690D+01 -0.382508D+01 -0.526114D+01
               246           247           248           249           250 
      1  -0.290115D+01  0.322513D+00  0.266133D+00 -0.135882D+01 -0.496559D+01
      2   0.121154D+02 -0.377576D+01 -0.574164D+01  0.675919D+01  0.181368D+02
      3   0.124173D+01 -0.467400D+01 -0.382829D+01  0.552985D+01  0.606662D+00
               251           252           253           254           255 
      1   0.103223D+01  0.447861D+01 -0.368274D+01 -0.975680D+00 -0.244144D+01
      2   0.100012D+02 -0.219731D+02  0.106480D+02  0.417418D+01  0.985662D+01
      3   0.783891D+01 -0.508309D+01 -0.550241D+01 -0.526447D+01 -0.545687D+00
               256           257           258           259           260 
      1  -0.185466D+01 -0.181723D+01 -0.344057D+01 -0.399457D+01 -0.158321D+01
      2   0.530105D+01  0.690641D+01  0.671233D+01  0.150958D+02  0.901934D+01
      3  -0.343492D+01 -0.589683D+01 -0.526025D+01 -0.932921D+00 -0.956366D+01
               261           262           263           264           265 
      1  -0.539265D+01  0.121912D+01  0.118601D+01 -0.125299D+01  0.659225D+00
      2   0.183198D+02 -0.108721D+02 -0.349537D+01 -0.786580D+01 -0.274640D+01
      3  -0.474565D+01  0.119060D+02  0.491919D+01  0.267320D+01  0.659237D+01
               266           267           268           269           270 
      1  -0.480855D-01 -0.123577D+01 -0.117728D+00  0.207388D+01 -0.229798D+01
      2  -0.664784D+01 -0.643209D+01 -0.100099D+02 -0.865455D+01 -0.206546D+02
      3   0.598992D+01  0.610294D+01  0.429471D+01  0.891622D+01  0.952926D+01
               271           272           273           274           275 
      1   0.853656D+00 -0.196511D+01  0.138991D+01 -0.116088D+01  0.771511D+00
      2  -0.856633D+00 -0.574444D+00  0.558554D+01  0.227652D-01 -0.468296D+00
      3   0.951725D+01 -0.119546D+02 -0.348781D+00 -0.962490D+01  0.729450D+01
               276           277           278           279           280 
      1  -0.137491D+01  0.675113D+00  0.238226D+00  0.129791D+00  0.300450D+01
      2  -0.382987D+01  0.418821D+01 -0.417015D+01 -0.139207D+01  0.254571D+01
      3   0.134809D+01 -0.739050D+00  0.421079D+00  0.364226D+01 -0.469226D+01
               281           282           283           284           285 
      1   0.248744D+00  0.388950D+01  0.130618D+01  0.108233D+00  0.807645D+00
      2  -0.104951D+01  0.976416D+01 -0.161655D+01  0.141901D+01  0.189352D+01
      3  -0.355716D+01 -0.142401D+01 -0.558954D+01  0.303784D+01 -0.354112D+01
               286           287           288           289           290 
      1   0.413888D+01  0.224853D+01  0.578332D+01 -0.221296D+01 -0.202575D+01
      2   0.765648D+01 -0.115806D+01  0.150100D+02  0.115550D+01  0.216027D+00
      3  -0.392438D+00 -0.339345D+01 -0.141364D+01  0.766344D+01  0.514071D+01
               291           292           293           294           295 
      1  -0.534230D+00  0.206243D+01 -0.890125D+01 -0.342482D+01 -0.518204D+00
      2   0.560105D-01  0.306258D+01 -0.168881D+01 -0.395210D+01 -0.560170D+00
      3   0.103436D+01 -0.589075D+00  0.340495D+02 -0.278692D+01  0.260976D+01
               296           297           298           299           300 
      1  -0.528772D+00 -0.205620D+01 -0.638464D+00  0.433198D+01 -0.259331D+01
      2  -0.346559D+01 -0.159205D+01 -0.259937D+01 -0.182540D+01  0.489578D+00
      3   0.134652D+01  0.421490D+01  0.112249D+02  0.718334D+01  0.385384D+01
               301           302           303           304           305 
      1  -0.771151D+00  0.571285D+01 -0.585983D+01 -0.163495D+01 -0.483682D+01
      2  -0.193615D+01 -0.590917D+00  0.585850D+00 -0.137606D+01  0.584794D+00
      3   0.107250D+02  0.646965D+01  0.305830D+01  0.240498D+01  0.138674D+01
               306           307           308           309           310 
      1  -0.175266D+00 -0.454396D+01  0.148685D+01  0.748673D+01  0.123804D+01
      2   0.711684D+00  0.758353D+01 -0.180374D+01 -0.206444D+01 -0.266001D+00
      3   0.757712D+00 -0.166016D+02  0.430618D+01  0.693878D+01  0.373841D+01
               311           312           313           314           315 
      1  -0.404302D+01 -0.208177D+01  0.597341D+01 -0.574371D+00 -0.854869D+01
      2   0.155615D+01  0.666995D+00 -0.538734D+01  0.214225D+01  0.302151D+01
      3  -0.271084D+01 -0.249511D+01  0.825007D+01 -0.465931D+01 -0.801515D+01
               316           317           318           319           320 
      1   0.468495D+01  0.131103D+01 -0.771719D+01  0.972179D+00  0.407584D+01
      2   0.725611D+01  0.137122D+01 -0.160257D+01 -0.362721D+00  0.122407D+01
      3   0.171814D+02  0.368449D+01 -0.694626D+01  0.231899D+01  0.255312D+01
               321           322           323           324           325 
      1  -0.186518D+01 -0.558270D+01 -0.694392D+00  0.851777D+01  0.102792D+01
      2  -0.556567D+00 -0.469755D+01 -0.201198D+01  0.255994D+01 -0.269633D+01
      3  -0.217898D+01 -0.721324D+01 -0.458803D+01  0.759519D+01 -0.111296D+02
               326           327           328           329           330 
      1   0.414372D+01  0.226460D+01 -0.100787D+01 -0.538282D+01 -0.593837D+01
      2   0.159443D+01  0.507442D+00  0.210944D+01 -0.568201D+00 -0.377883D+00
      3   0.707531D+01 -0.382283D+01  0.101690D+02 -0.682681D+01  0.336776D+01
               331           332           333           334           335 
      1   0.135395D+01 -0.478675D+01  0.515468D+00 -0.239121D+01 -0.272399D+01
      2  -0.155148D+01 -0.328546D+00  0.599893D+00  0.130427D+02  0.464097D+01
      3  -0.270760D+01  0.144354D+01 -0.823075D+00  0.223803D+01 -0.214668D+00
               336           337           338           339           340 
      1  -0.487741D+00 -0.150018D+01 -0.121340D+01  0.137487D+01 -0.185683D+01
      2  -0.801975D+01  0.615056D+01  0.226090D+01 -0.122201D+01 -0.120585D+02
      3  -0.265054D+01  0.275884D+01  0.451606D+00 -0.491792D+00 -0.332773D+01
               341           342           343           344           345 
      1   0.234755D+01  0.211934D+01  0.999749D+00  0.134058D+01  0.290238D+00
      2  -0.300027D+00  0.870534D+01 -0.989027D-01 -0.101488D+01 -0.174481D+01
      3   0.822642D+00  0.191343D+01 -0.770223D+00 -0.144325D+01  0.277933D+00
               346           347           348           349           350 
      1   0.186850D+01  0.867119D+01  0.558106D+01  0.305784D+00  0.763488D+01
      2  -0.227161D+01  0.352094D+01  0.468497D+01 -0.282209D+01  0.486921D+01
      3   0.113700D+01 -0.533373D+01 -0.534994D+01  0.677351D+00 -0.513896D+01
               351           352           353           354           355 
      1   0.511809D+01  0.154170D+01 -0.280087D+01  0.229244D+01 -0.235542D+01
      2   0.713338D+01  0.228800D+01 -0.240762D+01  0.261778D+01  0.604839D+00
      3  -0.516474D+01 -0.147567D+01 -0.527849D+01  0.190979D+01 -0.374808D+01
               356           357           358           359           360 
      1   0.489606D+01 -0.487697D+01  0.150891D+01 -0.313178D+01  0.223250D+01
      2   0.808799D+00 -0.529590D+01 -0.359112D-01 -0.528233D+01  0.147498D+01
      3   0.174483D+02 -0.133944D+01  0.302811D+00 -0.411145D+01  0.432931D+01
               361           362           363           364           365 
      1  -0.783092D+00 -0.140102D+01 -0.259586D+01  0.217416D+00 -0.128227D+01
      2  -0.911019D+01 -0.542457D+01 -0.667259D+01 -0.138766D+01 -0.741935D+01
      3   0.106170D+02  0.437319D+01  0.573870D+01  0.391404D+01  0.761840D+01
               366           367           368           369           370 
      1  -0.285848D+01  0.615824D+00 -0.152164D+01 -0.810874D+01  0.446713D+00
      2  -0.600088D+01 -0.813600D+01 -0.113565D+02 -0.176912D+02 -0.690331D+01
      3   0.607982D+01  0.830025D+01  0.854407D+01  0.106697D+02  0.488770D+01
               371           372           373           374           375 
      1  -0.192375D+01  0.164425D+00 -0.763789D+00  0.242816D+01  0.212673D+00
      2   0.470130D+01  0.102129D+02  0.508332D+01 -0.584705D+01 -0.544662D+01
      3  -0.660864D+01 -0.498624D+01 -0.497050D+01  0.933372D+01  0.640835D+01
               376           377           378           379           380 
      1   0.604814D-01  0.227415D+01 -0.119116D+01 -0.255118D+01  0.328507D+01
      2   0.948290D+01 -0.439200D+01 -0.135130D+02 -0.110240D+02  0.590294D+01
      3  -0.477541D+01  0.518955D+01  0.388318D+01 -0.324927D+01  0.494347D+01
               381           382           383           384           385 
      1  -0.215149D+01  0.350027D+01 -0.664674D+01  0.257808D+01 -0.256405D+01
      2  -0.470148D+01  0.908348D+01 -0.998945D+01  0.113576D+02 -0.592604D+01
      3  -0.367875D+01  0.784039D+01 -0.132377D+02  0.697488D+01 -0.374199D+01
               386           387           388           389           390 
      1   0.492128D+01 -0.412315D+01  0.891107D+00  0.133839D-01 -0.117669D+01
      2   0.872437D+01 -0.158390D+02 -0.882491D+01 -0.428395D+01  0.749268D+01
      3   0.634786D+01 -0.703735D+01 -0.161946D+02 -0.120805D+02  0.295407D+01
               391           392           393           394           395 
      1   0.106647D+01 -0.185273D+00 -0.157294D+01 -0.563796D+00  0.793126D+00
      2  -0.797260D+01 -0.242957D+01  0.415316D+01  0.856148D+01  0.275527D+01
      3  -0.145462D+02 -0.146842D+02  0.126270D+01  0.669956D+01  0.351641D+01
               396           397           398           399           400 
      1   0.906708D+00 -0.112907D+01  0.819634D+00  0.274693D-02  0.974859D+00
      2  -0.611117D+01  0.859237D+01 -0.390329D+01  0.607916D+01 -0.825464D+01
      3  -0.194531D+01  0.669902D+01 -0.700722D+01  0.500141D+01 -0.106575D+02
               401           402           403           404           405 
      1  -0.131809D+01 -0.814238D+00 -0.368804D+00  0.223238D+01 -0.857629D-01
      2   0.626857D+01 -0.107567D+02  0.773973D+01 -0.730683D+01  0.156744D+02
      3   0.158681D+02 -0.789587D+01  0.888023D+01 -0.865743D+01  0.797784D+01
               406           407           408           409           410 
      1   0.524687D+01 -0.288391D+01  0.871848D+00 -0.680401D-01  0.847330D+01
      2  -0.351052D+01  0.146325D+01 -0.504376D+00 -0.161287D+01 -0.888252D+01
      3  -0.599936D+01  0.275158D+01 -0.455434D+01 -0.207987D-02 -0.220209D+02
               411           412           413           414           415 
      1  -0.558430D+01 -0.551649D-01 -0.485363D+01  0.467493D+01 -0.206737D+01
      2   0.535861D+01  0.164607D+01  0.840905D+01 -0.797381D+01  0.490918D+01
      3   0.599106D+01 -0.722806D+01  0.969125D+01 -0.882450D+01 -0.132900D+01
               416           417           418           419           420 
      1  -0.789638D+00 -0.212127D+01  0.439175D-01  0.104283D+01 -0.168351D+01
      2   0.366093D+01  0.598248D+01  0.257127D+01  0.434335D+01  0.616822D+01
      3  -0.427312D+01 -0.289778D+01 -0.447241D+01 -0.884845D+01 -0.563192D+01
               421           422           423 
      1  -0.214912D+01 -0.671489D-01 -0.586734D+01
      2   0.563026D+01  0.953915D+01  0.201686D+02
      3  -0.324366D+01 -0.733552D+01 -0.918190D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383014D+02  0.106630D+02  0.946731D+01  0.183937D+02  0.147489D+02
      2   0.222697D+02 -0.700271D+01 -0.396629D+00 -0.155520D+02 -0.350637D+02
      3   0.160317D+02 -0.366028D+01 -0.907068D+01 -0.284168D+01  0.203148D+02
      4   0.185991D+01 -0.148389D+01  0.793073D+00 -0.718806D+01 -0.432044D+02
      5   0.644655D+01 -0.220591D+01  0.963252D+01 -0.358559D+00  0.270274D+01
      6  -0.247828D+01 -0.267352D-01  0.461851D+01  0.314770D+01  0.754731D+01
                 6             7             8             9            10 
      1   0.135513D+01  0.666130D+01  0.209769D+01  0.156311D+02  0.182183D+02
      2   0.470717D+01 -0.245779D+01 -0.105488D+01  0.330862D+01 -0.153757D+02
      3  -0.606230D+01 -0.420351D+01 -0.104281D+01 -0.189397D+02 -0.284254D+01
      4   0.507597D+01  0.533567D+01  0.170922D+01  0.557584D+01  0.263593D+02
      5   0.461459D+01  0.549929D+01  0.117496D+01  0.155981D+02  0.163185D+00
      6   0.166019D+01  0.105961D+01  0.474870D+00  0.805023D+01 -0.219296D+01
                11            12            13            14            15 
      1   0.937787D+01 -0.311099D+01  0.474663D+02  0.715253D+01 -0.851936D+01
      2   0.997829D+01  0.157756D+01 -0.140416D+02 -0.121126D+02  0.245448D+01
      3  -0.193562D+02  0.153343D+01 -0.334247D+02  0.496003D+01  0.606488D+01
      4   0.141473D+02 -0.633607D+01  0.164320D+02  0.129166D+02 -0.248155D-01
      5  -0.360615D+01  0.847165D+01 -0.203586D+01 -0.157537D+01  0.113406D+01
      6   0.639941D+01 -0.187330D+01 -0.573248D+00 -0.243316D+01  0.558560D+01
                16            17            18            19            20 
      1  -0.210464D+02  0.356675D+01  0.705799D+01  0.577058D+02 -0.142601D+02
      2   0.491311D+01 -0.853138D+01 -0.241332D+01 -0.326125D+02  0.146940D+02
      3   0.161333D+02  0.496462D+01 -0.464467D+01 -0.250933D+02 -0.433958D+00
      4  -0.253344D+01 -0.731637D+01  0.851828D+01 -0.239301D+02  0.102442D+02
      5   0.144862D+02  0.609921D+01 -0.780870D+01  0.393719D+02 -0.788687D+01
      6   0.464276D+01  0.269883D+01 -0.357792D+01 -0.817331D+01  0.566185D+01
                21            22            23            24            25 
      1   0.144757D+02 -0.475026D+02  0.351820D+01  0.947896D+01  0.254064D+02
      2  -0.161825D+02  0.170681D+02  0.994952D+01 -0.576485D+01 -0.828481D+01
      3   0.170680D+01  0.304345D+02 -0.134677D+02 -0.371411D+01 -0.171216D+02
      4  -0.693209D+01  0.346615D+01 -0.106418D+02  0.468282D+01  0.147872D+02
      5   0.149895D+02  0.634333D+01  0.632075D+01  0.108481D+01 -0.996356D-01
      6  -0.484162D+01  0.589849D+01 -0.122785D+01 -0.152730D+01  0.176852D+01
                26            27            28            29            30 
      1   0.803796D+01 -0.314115D+01 -0.350025D+02  0.268375D+01 -0.190824D+02
      2  -0.863856D+01 -0.249703D+01  0.270725D+02 -0.793379D+01  0.149757D+02
      3   0.600600D+00  0.563818D+01  0.793000D+01  0.525004D+01  0.410673D+01
      4  -0.133565D+01 -0.161253D+01  0.562667D+01  0.432228D+01  0.110459D+02
      5   0.139403D+01  0.160246D+01 -0.385456D+02  0.106324D+02 -0.346640D+02
      6  -0.343739D+00  0.969233D+01  0.919628D+01 -0.190599D+01  0.773458D+01
                31            32            33            34            35 
      1  -0.245724D+01  0.113690D+02  0.355361D+01 -0.311374D+02  0.135792D+02
      2   0.632662D+01 -0.225905D+02 -0.279203D+00  0.247151D+02 -0.941633D+01
      3  -0.386938D+01  0.112215D+02 -0.327440D+01  0.642228D+01 -0.416292D+01
      4  -0.771496D+01  0.350178D+02 -0.320799D+01  0.173514D+02  0.368043D+01
      5   0.670676D+01 -0.534524D+01 -0.664517D+01 -0.555930D+02 -0.118305D+01
      6  -0.355940D+01  0.664508D+01  0.106265D+01  0.119098D+02 -0.351840D+00
                36            37            38            39            40 
      1  -0.368287D+02 -0.758934D+02  0.465823D+02  0.123466D+02  0.528922D+02
      2   0.267291D+02  0.340755D+02 -0.212851D+02 -0.328590D+01 -0.254814D+02
      3   0.100996D+02  0.418179D+02 -0.252972D+02 -0.906068D+01 -0.274108D+02
      4  -0.164956D+00  0.518107D+02 -0.129082D+02 -0.450898D+01 -0.162928D+02
      5  -0.215211D+02  0.129263D+02 -0.482477D+01  0.228691D+02 -0.384357D+01
      6   0.356971D+01 -0.751321D+01  0.145635D+01 -0.458424D+01  0.106815D+01
                41            42            43            44            45 
      1  -0.114121D+02  0.614028D+00  0.474413D+01  0.212225D+01  0.342688D+02
      2   0.733608D+01  0.137351D+01  0.972432D+00  0.139407D+01 -0.166441D+02
      3   0.407600D+01 -0.198754D+01 -0.571656D+01 -0.351632D+01 -0.176247D+02
      4  -0.167882D+02  0.624694D+01 -0.237379D+01  0.595629D+01  0.155139D+02
      5   0.659475D+01  0.166646D+02  0.326192D+02  0.166674D+02  0.409537D+01
      6   0.673195D+00 -0.367650D+01 -0.373820D+01 -0.324524D+01 -0.505049D+01
                46            47            48            49            50 
      1   0.191051D+02 -0.307359D+02 -0.445218D+00 -0.471839D+02 -0.887881D+01
      2  -0.885244D+01  0.172105D+02 -0.581892D+01  0.259245D+02  0.920359D+01
      3  -0.102526D+02  0.135254D+02  0.626414D+01  0.212594D+02 -0.324782D+00
      4  -0.326304D+02 -0.118215D+02  0.332698D+01 -0.161529D+02  0.183233D+02
      5   0.668638D+01  0.560437D+01 -0.395926D+02  0.570234D+01 -0.389824D+01
      6   0.633218D+01  0.185443D+00 -0.102655D+02  0.915437D+00 -0.363586D+01
                51            52            53            54            55 
      1   0.635172D+00  0.988780D+01 -0.669757D+00 -0.514422D+02 -0.348382D+01
      2  -0.428669D+01 -0.138745D+02 -0.423052D+01  0.269033D+02 -0.947277D+01
      3   0.365152D+01  0.398671D+01  0.490028D+01  0.245389D+02  0.129566D+02
      4  -0.400922D+01  0.291147D+01 -0.416562D+01 -0.393951D+02  0.146316D+02
      5  -0.257310D+02 -0.667199D+02 -0.334436D+02  0.123387D+02  0.163082D+01
      6  -0.708473D+01 -0.181125D+02 -0.750686D+01  0.386565D+01 -0.230484D+01
                56            57            58            59            60 
      1   0.799666D+01 -0.206520D+02 -0.367385D+01 -0.166679D+01  0.368747D+01
      2  -0.910514D+01 -0.114090D+02 -0.165447D+01  0.722303D+01  0.362480D+01
      3   0.110848D+01  0.320609D+02  0.532832D+01 -0.555625D+01 -0.731227D+01
      4  -0.275723D+01 -0.686344D-01  0.435933D+01  0.300469D+01 -0.131418D+01
      5  -0.212086D-01  0.211608D+02 -0.150643D+01 -0.432116D+00  0.638574D+01
      6   0.167757D+01  0.632817D+01 -0.263101D+00  0.371466D+01 -0.812009D+01
                61            62            63            64            65 
      1   0.331541D+01 -0.133577D+02 -0.426774D+01 -0.185763D+01 -0.518555D+01
      2  -0.191468D+02  0.872818D+01 -0.253291D+02  0.482875D+01 -0.365837D+01
      3   0.158314D+02  0.462955D+01  0.295969D+02 -0.297113D+01  0.884392D+01
      4  -0.113489D+02  0.368418D+01  0.514424D+00 -0.122249D+01  0.928638D+01
      5   0.254340D+02 -0.646015D+00  0.289190D+02  0.687677D+01 -0.183406D+01
      6  -0.448995D+01 -0.420674D+01  0.757015D+00 -0.569672D+00 -0.571275D+00
                66            67            68            69            70 
      1   0.621156D+01 -0.742033D+01  0.622656D+01 -0.241479D+02 -0.191273D+01
      2  -0.740824D+01 -0.424890D+00 -0.160420D+02 -0.620076D+01 -0.430549D+01
      3   0.119668D+01  0.784522D+01  0.981543D+01  0.303487D+02  0.621822D+01
      4  -0.262195D+01  0.424005D+01  0.150168D+01  0.830944D+00 -0.407283D+01
      5   0.335913D+01 -0.242318D+00  0.721866D+00  0.161798D+02  0.289859D+01
      6   0.119286D+02  0.486817D+01  0.486952D+01  0.142171D+02  0.424827D+01
                71            72            73            74            75 
      1  -0.208194D+02 -0.217961D+02  0.223200D+00 -0.373631D+01 -0.449921D+01
      2   0.100250D+02 -0.130439D+02  0.961622D+01 -0.578488D+01  0.240940D+01
      3   0.107944D+02  0.348399D+02 -0.983942D+01  0.952119D+01  0.208980D+01
      4   0.775110D+01  0.840085D+01 -0.745051D+01 -0.259743D+00  0.152080D+02
      5   0.777220D+01  0.205302D+02  0.371853D+01  0.116048D+02 -0.816513D+00
      6   0.159071D+02  0.196753D+02  0.104093D+02  0.610685D+01  0.358542D+01
                76            77            78            79            80 
      1   0.102000D+02 -0.320323D+02 -0.951323D+01 -0.177835D+01  0.434247D+01
      2  -0.333247D+01  0.466769D+02  0.544487D+00  0.935859D+00  0.147331D+01
      3  -0.686753D+01 -0.146447D+02  0.896875D+01  0.842487D+00 -0.581578D+01
      4   0.641258D+01  0.231413D+02  0.458881D+01  0.828325D+01  0.793310D+01
      5   0.248622D+01  0.518945D+01  0.460236D+01 -0.232449D+01  0.151636D+01
      6   0.280090D+01  0.232128D+02  0.106819D+02  0.706314D+01  0.794184D+01
                81            82            83            84            85 
      1  -0.837374D+01  0.833219D+01  0.177822D+02 -0.543116D+00  0.123941D+02
      2   0.874512D+01 -0.139741D+02 -0.392281D+02 -0.525123D+01 -0.247088D+02
      3  -0.371384D+00  0.564186D+01  0.214459D+02  0.579434D+01  0.123147D+02
      4  -0.245619D+01 -0.118602D+01 -0.223488D+02 -0.128724D+02 -0.143549D+02
      5   0.510629D+01  0.981335D+00 -0.774975D+01 -0.455810D+01 -0.320448D+01
      6  -0.611570D+00 -0.165999D+02 -0.731917D+01  0.148111D+02 -0.315733D+01
                86            87            88            89            90 
      1   0.248431D+02  0.582013D+01 -0.211230D+01 -0.273911D+01  0.341798D+01
      2  -0.494335D+02 -0.110293D+02 -0.812046D+00  0.221901D+01 -0.386309D+01
      3   0.245904D+02  0.520915D+01  0.292435D+01  0.520096D+00  0.445111D+00
      4  -0.348224D+02 -0.207775D+01 -0.949689D+01 -0.110722D+01  0.993501D+01
      5  -0.247853D+01 -0.822541D-02 -0.418336D+01  0.144548D+01  0.311389D+01
      6  -0.210774D+02 -0.480329D+01  0.172934D+02 -0.102354D+02 -0.289022D+00
                91            92            93            94            95 
      1   0.816045D+01 -0.182531D+02  0.431004D+00 -0.128823D+02  0.269653D+02
      2  -0.127616D+02  0.386802D+02 -0.640034D+01  0.238067D+02 -0.498527D+02
      3   0.460117D+01 -0.204272D+02  0.596934D+01 -0.109243D+02  0.228874D+02
      4  -0.442069D+00 -0.204153D+02  0.128729D+02 -0.123064D+02  0.331768D+02
      5   0.163981D+01  0.757860D+01 -0.513878D+01  0.295139D+01 -0.284733D+01
      6   0.166052D+02 -0.798073D+01 -0.145373D+02 -0.406306D+01  0.220179D+02
                96            97            98            99           100 
      1  -0.658538D+01 -0.930586D+00  0.189798D+01  0.327265D+01 -0.405688D+01
      2   0.119907D+02 -0.244917D+01 -0.115490D+01 -0.383890D+01  0.109981D+02
      3  -0.540531D+01  0.337975D+01 -0.743086D+00  0.566253D+00 -0.694117D+01
      4  -0.293337D+01  0.887577D+01 -0.238586D+01 -0.990356D+01  0.105964D+02
      5   0.203563D+00 -0.449450D+01 -0.135968D+01  0.363035D+01  0.254714D+01
      6  -0.530018D+01 -0.168901D+02 -0.104804D+02  0.582299D+00 -0.100855D+02
               101           102           103           104           105 
      1   0.438188D+01 -0.363482D+01 -0.794459D+01 -0.335732D+02  0.960254D+01
      2   0.548030D+01  0.296319D+01  0.296357D+01  0.458122D+02 -0.965059D+00
      3  -0.986218D+01  0.671638D+00  0.498102D+01 -0.122390D+02 -0.863748D+01
      4  -0.189718D+01 -0.142168D+02  0.452663D+01 -0.189392D+02  0.427447D+01
      5  -0.105066D+02  0.856080D-02 -0.187177D+01  0.431347D+01 -0.342444D+01
      6   0.496498D+01 -0.358298D+01  0.119972D+01 -0.233140D+02  0.988809D+01
               106           107           108           109           110 
      1  -0.301819D+01 -0.224151D+01 -0.917841D+01  0.124036D+02 -0.100429D+02
      2   0.105779D+01 -0.203234D+01  0.694731D+01 -0.903516D+01 -0.118646D+02
      3   0.196040D+01  0.427385D+01  0.223110D+01 -0.336842D+01  0.219075D+02
      4  -0.702145D+01  0.734072D+01  0.160524D+01 -0.291233D+02  0.184821D+02
      5  -0.239145D+01 -0.185747D+01  0.442156D+01  0.433955D+01  0.264160D+01
      6  -0.683930D+01  0.842001D+01 -0.107794D+01  0.460572D+01  0.724231D+01
               111           112           113           114           115 
      1  -0.258290D+01 -0.453716D+02  0.117264D+02  0.474661D+01 -0.284273D+02
      2   0.127781D+00  0.857418D+01 -0.132637D+02  0.559239D-01  0.520721D+01
      3   0.245512D+01  0.367974D+02  0.153726D+01 -0.480253D+01  0.232201D+02
      4   0.594867D+01  0.220751D+02 -0.150047D+02 -0.781276D-01  0.802762D+01
      5   0.545922D+01 -0.303361D+01 -0.140555D+01 -0.385969D+00  0.128166D+02
      6   0.246809D+01 -0.623552D+00  0.211931D+01  0.549750D+01 -0.192086D+01
               116           117           118           119           120 
      1  -0.358439D+01  0.576222D+01  0.588114D+02  0.124346D+02  0.115976D+02
      2   0.101698D+02  0.716087D+00 -0.344352D+02 -0.121376D+02 -0.156642D+02
      3  -0.658542D+01 -0.647831D+01 -0.243762D+02 -0.296967D+00  0.406659D+01
      4  -0.935856D+01 -0.981988D+01  0.220522D+02  0.111928D+02  0.553427D+01
      5  -0.617106D+01 -0.394036D+01  0.349126D+02  0.648379D+01  0.170397D+02
      6   0.451449D+01  0.220771D+01  0.482622D+01  0.649612D+01  0.516214D+01
               121           122           123           124           125 
      1   0.396911D+02  0.475540D+01 -0.892568D+01  0.262745D+02 -0.884419D+01
      2  -0.100790D+02  0.756119D+01  0.452715D+01 -0.790421D+01  0.821747D+01
      3  -0.296121D+02 -0.123166D+02  0.439853D+01 -0.183703D+02  0.626720D+00
      4   0.294750D+01  0.991465D+01  0.423710D+01 -0.161037D+02  0.118232D+01
      5  -0.725833D+01  0.508452D+01 -0.296964D+00  0.391275D+01  0.136892D+01
      6   0.684912D+01 -0.272588D+00 -0.283261D+00 -0.273206D+01 -0.431366D+00
               126           127           128           129           130 
      1  -0.284432D+01 -0.305824D+01 -0.993038D+01 -0.234762D+02  0.195677D+01
      2  -0.375253D+01 -0.594685D+01  0.104747D+02 -0.108642D+02  0.296269D+01
      3   0.659685D+01  0.900510D+01 -0.544269D+00  0.343403D+02 -0.491946D+01
      4   0.419210D+01 -0.195166D+02 -0.202107D+01 -0.952140D+00  0.346036D+01
      5   0.459291D+01 -0.111454D+01 -0.928559D+00  0.167524D+02  0.183543D+01
      6  -0.612596D+01  0.161294D+01  0.452889D+00 -0.658223D+01  0.196212D+00
               131           132           133           134           135 
      1  -0.228224D+01 -0.260230D+01  0.627096D+01  0.138876D+02 -0.663046D+01
      2   0.722078D+01 -0.326730D+01 -0.219960D+02 -0.891490D+01 -0.264753D+02
      3  -0.493854D+01  0.586959D+01  0.157251D+02 -0.497271D+01  0.331058D+02
      4  -0.174102D+01 -0.104567D+01  0.102104D+02  0.252556D+01 -0.117369D+01
      5  -0.207383D+00 -0.699782D+01  0.245460D+02  0.180022D+00  0.310489D+02
      6  -0.421145D+01 -0.779963D+01  0.405625D+01 -0.371435D+01 -0.168621D+01
               136           137           138           139           140 
      1  -0.267334D+01  0.516473D+01  0.822708D+01  0.631928D+01  0.762822D+01
      2   0.532693D+01  0.133504D+01 -0.703244D+01 -0.658659D+00 -0.159996D+02
      3  -0.265360D+01 -0.649978D+01 -0.119464D+01 -0.566062D+01  0.837142D+01
      4   0.252105D+01  0.966593D+01  0.308557D+01  0.688415D+01 -0.292479D+01
      5   0.624428D+01  0.204028D+01  0.252841D+01  0.807336D+00  0.946313D+00
      6   0.796077D+00 -0.122621D+01 -0.994836D+01  0.487353D+01 -0.356030D+01
               141           142           143           144           145 
      1   0.249373D+02 -0.132632D+01  0.211132D+02 -0.217726D+02 -0.188507D+02
      2   0.734064D+01 -0.403487D+01 -0.103059D+02 -0.120716D+02  0.214580D+01
      3  -0.322779D+02  0.536119D+01 -0.108074D+02  0.338441D+02  0.167049D+02
      4   0.662443D+00  0.587257D+01  0.635415D+01 -0.592491D+01  0.176488D+02
      5  -0.134456D+02  0.788288D+00 -0.634924D+01  0.184232D+02  0.157224D+01
      6   0.147445D+02 -0.354426D+01  0.155863D+02 -0.187820D+02 -0.199005D+00
               146           147           148           149           150 
      1   0.154662D+01  0.106971D+02  0.428029D+01 -0.174988D+02  0.995163D+01
      2   0.162843D+02 -0.627653D+01  0.206885D+02 -0.114865D+02 -0.428033D+01
      3  -0.178309D+02 -0.442053D+01 -0.249688D+02  0.289852D+02 -0.567130D+01
      4  -0.272335D+02  0.742457D+01 -0.482910D+02  0.433355D+02 -0.225101D+01
      5   0.113736D+02  0.487709D+01  0.126686D+02 -0.214633D+01  0.385469D+01
      6  -0.622812D+01 -0.788920D+01 -0.133911D+01  0.765839D+00 -0.620155D+01
               151           152           153           154           155 
      1   0.130223D+02  0.194792D+02  0.142810D+02 -0.543939D+01  0.211352D+02
      2  -0.123851D+02 -0.248908D+01 -0.753404D+01  0.417185D+01 -0.189380D+02
      3  -0.637226D+00 -0.169901D+02 -0.674698D+01  0.126754D+01 -0.219722D+01
      4   0.179078D+02 -0.125872D+02  0.573801D+01  0.284316D+02 -0.311978D+01
      5   0.207787D+01  0.782866D+01  0.422810D+01  0.264955D+02 -0.324697D+02
      6  -0.500707D+01 -0.801690D+01 -0.822465D+01 -0.997684D+01  0.296104D+01
               156           157           158           159           160 
      1   0.168619D+02  0.319010D+02  0.640148D+01 -0.397453D+02  0.156146D+02
      2  -0.833114D+01 -0.258354D+02  0.110295D+01  0.181696D+02 -0.673534D+01
      3  -0.853080D+01 -0.606564D+01 -0.750443D+01  0.215757D+02 -0.887925D+01
      4  -0.317570D+02 -0.300993D+01 -0.221811D+01  0.163417D+02 -0.389196D+02
      5  -0.213561D+02 -0.442675D+02  0.133635D+02  0.939091D-01 -0.218101D+02
      6   0.951850D+01  0.528749D+01 -0.579449D+00 -0.543066D+01  0.109967D+02
               161           162           163           164           165 
      1  -0.360703D+02 -0.136041D+02 -0.497025D+02 -0.308964D+02 -0.355762D+01
      2   0.149009D+02  0.106050D+02  0.212146D+02  0.143810D+02  0.389180D+01
      3   0.211694D+02  0.299905D+01  0.284879D+02  0.165154D+02 -0.334183D+00
      4   0.159532D+02 -0.214936D+01 -0.352194D+02 -0.200255D+02  0.299528D+02
      5  -0.255325D+01  0.161449D+02 -0.270507D+01  0.294279D+02  0.774659D+00
      6  -0.457599D+01 -0.638688D+00  0.658178D+01  0.579410D+00  0.233328D+01
               166           167           168           169           170 
      1  -0.491640D+02 -0.283518D+02  0.422976D+02 -0.284083D+01  0.425904D+02
      2   0.225326D+02  0.141102D+02 -0.217388D+02  0.258619D+01 -0.227241D+02
      3   0.266314D+02  0.142415D+02 -0.205588D+02  0.254639D+00 -0.198663D+02
      4  -0.340465D+02  0.355072D+01 -0.957477D+01  0.461016D+02 -0.715556D+01
      5   0.449408D+02 -0.977068D+01  0.199541D+02 -0.742729D+01  0.196646D+02
      6  -0.214089D+01  0.415040D+01 -0.300079D+01  0.340047D+01 -0.293861D+01
               171           172           173           174           175 
      1  -0.318679D+01 -0.168107D+02  0.636156D+01  0.412476D+01  0.383482D+01
      2   0.160483D+01  0.121061D+02  0.244759D+00 -0.204896D+01 -0.414194D+01
      3   0.158196D+01  0.470461D+01 -0.660632D+01 -0.207580D+01  0.307117D+00
      4   0.187650D+02  0.148272D+01 -0.414998D+01 -0.192400D+02 -0.185989D+02
      5  -0.607487D+01 -0.820165D+01 -0.193446D+02 -0.203473D+02 -0.254460D+02
      6   0.425846D+01 -0.463239D+01 -0.634253D+01 -0.692484D+01 -0.780965D+01
               176           177           178           179           180 
      1  -0.258397D+01 -0.200641D+02  0.871694D+01 -0.180975D+02 -0.108109D+02
      2  -0.496880D+01  0.173022D+02  0.295294D+01  0.193469D+02  0.915065D+01
      3   0.755277D+01  0.276187D+01 -0.116699D+02 -0.124939D+01  0.166021D+01
      4  -0.229445D+02 -0.121316D+00 -0.227269D+02  0.154153D+01 -0.263157D+02
      5  -0.266868D+00 -0.187033D+02 -0.322169D+02 -0.275025D+02 -0.308606D+02
      6  -0.217014D+01 -0.700823D+01 -0.140563D+02 -0.965347D+01 -0.135364D+02
               181           182           183           184           185 
      1  -0.566451D+02  0.944129D+00 -0.629971D+01  0.964420D+00  0.810096D+01
      2   0.378397D+02 -0.871812D+00  0.202691D+02 -0.725579D-01 -0.131336D+02
      3   0.188054D+02 -0.723169D-01 -0.139694D+02 -0.891862D+00  0.503265D+01
      4   0.939253D+00 -0.143639D+02  0.122085D+01 -0.927395D+01 -0.119926D+01
      5  -0.294443D+02  0.121117D-01 -0.293369D+02 -0.115155D+01 -0.825208D+01
      6   0.166887D+00 -0.572457D+01 -0.182658D+01 -0.122913D+02 -0.208174D+00
               186           187           188           189           190 
      1   0.108994D+00 -0.131028D+02 -0.752483D-01  0.164957D+02  0.278676D+02
      2  -0.827977D+00  0.237404D+02  0.263865D+00  0.193833D+02 -0.107311D+02
      3   0.718983D+00 -0.106376D+02 -0.188617D+00 -0.358791D+02 -0.171365D+02
      4  -0.637650D+01  0.165588D+01 -0.119535D+02 -0.770423D+00 -0.227778D+02
      5  -0.294346D+00 -0.187112D+02  0.272944D+00 -0.276615D+02 -0.130120D+02
      6  -0.132572D+02 -0.140335D+01 -0.776998D+01  0.145439D+00  0.103639D+02
               191           192           193           194           195 
      1  -0.319989D+01 -0.266795D+01 -0.210064D+01 -0.443452D+02 -0.151721D+02
      2  -0.396416D+01  0.408789D+01 -0.841889D+01  0.721827D+02  0.130713D+02
      3   0.716405D+01 -0.141994D+01  0.105195D+02 -0.278375D+02  0.210088D+01
      4   0.261481D+02  0.981732D+01  0.242045D+02 -0.258199D+02 -0.935648D+01
      5   0.101086D+02  0.189842D+02  0.355828D+01 -0.106007D+02 -0.616508D+01
      6  -0.299903D+01 -0.574562D+01 -0.711453D+01  0.291814D+02  0.283086D+02
               196           197           198           199           200 
      1  -0.900734D+00 -0.164254D+02 -0.232144D+02  0.296788D+02  0.153238D+01
      2   0.637844D+01  0.612714D+01 -0.403479D+01 -0.145990D+02  0.526606D+01
      3  -0.547771D+01  0.102982D+02  0.272492D+02 -0.150798D+02 -0.679844D+01
      4   0.574498D+01 -0.464296D+01 -0.117887D+02  0.196808D+02  0.227303D+02
      5   0.199426D+02 -0.115490D+02 -0.170836D+02 -0.139224D+02 -0.897393D+01
      6  -0.107051D+02  0.311009D+02  0.316754D+02 -0.100820D+02 -0.314424D+01
               201           202           203           204           205 
      1  -0.283974D+01 -0.187863D+00 -0.372518D+02  0.154379D+02  0.122408D+00
      2   0.520160D+01  0.841830D+01  0.585391D+02 -0.126023D+02  0.671104D+01
      3  -0.236186D+01 -0.823044D+01 -0.212874D+02 -0.283560D+01 -0.683344D+01
      4  -0.982741D+01  0.226521D+02  0.247524D+02 -0.101938D+02 -0.596234D+01
      5   0.216496D+02 -0.326611D+01 -0.116285D+02  0.662330D+01  0.220110D+02
      6   0.651983D+01 -0.772923D+01 -0.294367D+02  0.275608D+02  0.115992D+02
               206           207           208           209           210 
      1   0.182841D+02 -0.245009D+02 -0.697231D+01  0.591142D+01  0.173738D+02
      2  -0.795166D+01 -0.941527D+01 -0.730262D+01  0.851399D+00  0.980129D+01
      3  -0.103324D+02  0.339161D+02  0.142749D+02 -0.676282D+01 -0.271751D+02
      4  -0.627656D+01  0.127058D+02 -0.335589D+01  0.133436D+01  0.287843D+01
      5   0.117735D+02 -0.213454D+02 -0.111865D+02  0.269335D+01  0.104852D+02
      6   0.290286D+02 -0.330226D+02  0.772696D+01 -0.701296D+01 -0.127546D+02
               211           212           213           214           215 
      1   0.294319D+01 -0.350050D+01 -0.102238D+01  0.949997D+01 -0.244831D+01
      2  -0.775162D+00  0.269409D+00  0.241608D+01  0.482185D+01 -0.462120D+00
      3  -0.216803D+01  0.323109D+01 -0.139370D+01 -0.143218D+02  0.291043D+01
      4   0.128965D+01 -0.174219D+01 -0.137234D+01  0.151403D+01 -0.175330D+01
      5   0.235803D+01 -0.268950D+01 -0.339370D+01  0.819070D+01 -0.247245D+01
      6  -0.419490D+01  0.421750D+01  0.533767D+01 -0.519283D+01  0.479278D+01
               216           217           218           219           220 
      1  -0.167664D+02 -0.543006D+00 -0.197989D+01  0.457455D+01  0.688578D+00
      2  -0.114354D+02 -0.316199D+00 -0.448625D+00  0.239596D+01  0.319612D+01
      3   0.282019D+02  0.859206D+00  0.242851D+01 -0.697050D+01 -0.388470D+01
      4  -0.254206D+01 -0.248391D+01  0.184413D+01 -0.193015D+01  0.471482D+01
      5  -0.113169D+02  0.164469D+01 -0.278771D+01  0.207939D+01 -0.784122D+01
      6   0.776579D+01 -0.304960D+01  0.964678D+00  0.287944D+00  0.532028D+01
               221           222           223           224           225 
      1  -0.149875D+02  0.177453D+02  0.462872D+00  0.118179D+02 -0.209929D+02
      2   0.857817D+00  0.541864D+01 -0.106281D+01  0.243527D+01 -0.707986D+01
      3   0.141296D+02 -0.231640D+02  0.599943D+00 -0.142531D+02  0.280728D+02
      4  -0.995658D+01  0.982268D+01 -0.265123D+01  0.428751D+01 -0.601020D+01
      5   0.114200D+02 -0.159820D+02  0.371937D+01 -0.722517D+01  0.112478D+02
      6  -0.216542D+02  0.235328D+02 -0.217733D+01  0.156835D+02 -0.208050D+02
               226           227           228           229           230 
      1  -0.367269D+01 -0.418470D-01 -0.797695D+01 -0.901307D+01 -0.509584D+01
      2  -0.136005D+01 -0.387003D+00  0.194219D+01  0.609124D+01  0.472614D+01
      3   0.503274D+01  0.428850D+00  0.603475D+01  0.292183D+01  0.369704D+00
      4  -0.471755D+01 -0.109250D+01 -0.789987D+00 -0.731408D+00  0.484537D+01
      5  -0.230552D+01  0.165426D+01 -0.877609D+00  0.115044D+01 -0.341906D+01
      6  -0.678917D+00  0.102546D+01 -0.288534D+01 -0.363549D+00 -0.302596D+01
               231           232           233           234           235 
      1   0.102906D+01 -0.179055D+02  0.100113D+01 -0.151044D+02  0.356322D+01
      2  -0.475754D+01  0.848480D+01 -0.883846D+00 -0.985169D+01  0.416113D+01
      3   0.372848D+01  0.942069D+01 -0.117283D+00  0.249561D+02 -0.772435D+01
      4  -0.425156D+01 -0.873177D+01 -0.578914D+01  0.234450D+01  0.105517D+02
      5  -0.296945D+01  0.891248D+01  0.462384D+01 -0.268844D+02 -0.106676D+01
      6   0.198424D+01  0.109264D+01  0.616309D+01 -0.145457D+02 -0.540611D+00
               236           237           238           239           240 
      1   0.476987D+01  0.100704D+00  0.823400D+01 -0.247600D+02  0.902320D+00
      2   0.643337D+00 -0.512763D+00  0.476484D+01  0.523923D+02 -0.409484D+01
      3  -0.541321D+01  0.412060D+00 -0.129988D+02 -0.276323D+02  0.319252D+01
      4   0.121212D+02 -0.809880D+00  0.218613D+02  0.576774D+02 -0.782174D+01
      5  -0.912622D+00 -0.156360D+00 -0.552352D+01 -0.448687D+01  0.487501D+01
      6  -0.114972D+01 -0.776511D-01 -0.402923D+01 -0.120080D+02  0.680352D+01
               241           242           243           244           245 
      1   0.129276D+01  0.547707D+00 -0.521601D+01  0.551377D+02  0.183264D+02
      2  -0.709910D+00  0.145336D+01  0.398027D+01 -0.325488D+02 -0.932598D+01
      3  -0.582854D+00 -0.200107D+01  0.123573D+01 -0.225889D+02 -0.900039D+01
      4   0.222578D+00  0.307264D+00  0.572494D+01  0.304925D+02  0.171987D+02
      5   0.146096D+01  0.603933D+01 -0.207538D+01 -0.431890D+02 -0.126277D+02
      6   0.138274D+01  0.753980D+01 -0.220868D+01 -0.100306D+02 -0.476530D+01
               246           247           248           249           250 
      1  -0.287984D+02  0.181851D+02  0.112147D+02 -0.598406D+01 -0.430202D+02
      2   0.193446D+02 -0.766395D+01 -0.503948D+01  0.280225D+01  0.312827D+02
      3   0.945374D+01 -0.105212D+02 -0.617522D+01  0.318181D+01  0.117374D+02
      4  -0.149812D+02  0.244095D+02  0.152394D+02 -0.161838D+02 -0.251726D+02
      5   0.324452D+02 -0.144420D+02 -0.157105D+02  0.149865D+02  0.563502D+02
      6   0.746485D+01 -0.758582D+01 -0.673869D+01  0.887841D+01  0.141058D+02
               251           252           253           254           255 
      1  -0.977397D+01  0.302339D+02  0.438690D+02  0.180655D+02  0.182953D+02
      2   0.666054D+01 -0.274114D+02 -0.197503D+02 -0.712583D+01 -0.824422D+01
      3   0.311343D+01 -0.282249D+01 -0.241187D+02 -0.109397D+02 -0.100511D+02
      4  -0.196161D+02  0.265384D+02  0.272734D+02  0.167564D+02  0.955200D+01
      5   0.231993D+02 -0.535996D+02  0.206157D+02  0.659969D+01  0.180825D+02
      6   0.100368D+02 -0.147141D+02  0.489493D+01  0.208458D+01  0.452470D+01
               256           257           258           259           260 
      1   0.220125D+02  0.122688D+02  0.481717D+01  0.387840D+02  0.114606D+02
      2  -0.721316D+01 -0.121693D+01  0.792840D+00 -0.169696D+02 -0.215210D+01
      3  -0.147994D+02 -0.110519D+02 -0.561001D+01 -0.218144D+02 -0.930855D+01
      4   0.241575D+02  0.188065D+02  0.136195D+02  0.227237D+02  0.217185D+02
      5   0.779308D+01  0.122568D+02  0.118522D+02  0.328782D+02  0.181455D+02
      6   0.384815D+01  0.510038D+01  0.581872D+01  0.951687D+01  0.626364D+01
               261           262           263           264           265 
      1   0.241408D+02 -0.155221D+02 -0.116711D+02 -0.100687D+02 -0.148487D+02
      2  -0.120088D+02  0.789236D+01  0.553925D+01  0.320691D+01  0.811586D+01
      3  -0.121320D+02  0.762974D+01  0.613189D+01  0.686175D+01  0.673283D+01
      4   0.216710D+02 -0.685023D+01 -0.268232D+01 -0.112539D+00  0.290684D+01
      5   0.312117D+02 -0.481762D+01 -0.505360D+00 -0.867317D+01  0.180329D+01
      6   0.909118D+01  0.397024D+01  0.155156D+01  0.332780D+01  0.171958D+01
               266           267           268           269           270 
      1  -0.502728D+01 -0.297558D+01 -0.137307D+02 -0.719371D+01 -0.163099D+02
      2   0.289462D+01  0.132060D+01  0.566844D+01  0.177511D+01 -0.102702D+01
      3   0.213266D+01  0.165498D+01  0.806231D+01  0.541860D+01  0.173369D+02
      4  -0.592677D+01 -0.743552D+01  0.292396D+00 -0.123038D+02 -0.106791D+02
      5  -0.731904D+01 -0.962563D+01 -0.486591D+00 -0.121832D+02 -0.282798D+02
      6   0.469460D+01  0.683349D+01  0.141544D+01  0.755455D+01  0.105198D+02
               271           272           273           274           275 
      1   0.140839D+03 -0.410219D+02 -0.148864D+02 -0.388542D+02  0.264895D+02
      2  -0.680946D+02  0.175297D+02  0.827004D+01  0.144359D+02 -0.867952D+01
      3  -0.727447D+02  0.234922D+02  0.661634D+01  0.244183D+02 -0.178100D+02
      4  -0.560711D+02  0.309192D+02  0.553954D+01  0.381886D+02 -0.232247D+02
      5  -0.220888D+02  0.594693D+01  0.121038D+02  0.726682D+01 -0.475190D+01
      6   0.702993D+01 -0.375012D+01 -0.268423D+01 -0.448820D+01  0.282304D+01
               276           277           278           279           280 
      1   0.403492D+01 -0.507178D+01  0.124646D+01  0.118375D+02  0.627271D+02
      2  -0.200681D+01  0.367283D+01 -0.154955D+01 -0.679547D+01 -0.409786D+02
      3  -0.202811D+01  0.139895D+01  0.303096D+00 -0.504202D+01 -0.217485D+02
      4  -0.428517D+01  0.301980D+01 -0.146455D+01 -0.895939D+01 -0.170036D+02
      5  -0.658751D+01  0.173438D+02 -0.898565D+01 -0.445271D+01  0.495915D+02
      6   0.291375D+01 -0.381449D+01  0.304113D+01  0.189247D+01 -0.902013D+01
               281           282           283           284           285 
      1  -0.721979D+01  0.269663D+02  0.632387D+01  0.458405D+01 -0.865512D-01
      2   0.424747D+01 -0.202435D+02 -0.640071D+01 -0.114655D+01 -0.281532D+01
      3   0.297232D+01 -0.672287D+01  0.768459D-01 -0.343750D+01  0.290188D+01
      4   0.939345D+01 -0.104010D+02  0.122161D+02 -0.747408D+01  0.820351D+01
      5  -0.947957D+01  0.375502D+02 -0.526060D+00  0.949693D+01  0.253115D+01
      6   0.396592D+01 -0.777073D+01  0.436911D+01 -0.251267D+01  0.423913D+01
               286           287           288           289           290 
      1   0.416673D+02 -0.963116D+01  0.235091D+02 -0.311342D+01 -0.955504D+01
      2  -0.326059D+02  0.618593D+01 -0.273460D+02  0.333080D+01  0.711756D+01
      3  -0.906147D+01  0.344523D+01  0.383687D+01 -0.217386D+00  0.243748D+01
      4  -0.199879D+02  0.101481D+02 -0.119503D+02 -0.536833D+01  0.263176D+00
      5   0.547415D+02 -0.116778D+02  0.528360D+02  0.286786D+01 -0.324599D+00
      6  -0.126007D+02  0.686544D+01 -0.115291D+02 -0.327607D+00 -0.217788D+01
               291           292           293           294           295 
      1   0.282389D+01 -0.129669D+02 -0.164822D+02  0.224264D+01  0.802023D+00
      2  -0.170736D+01  0.552531D+00  0.353254D+02 -0.285294D+01 -0.210998D+01
      3  -0.111653D+01  0.124143D+02 -0.188432D+02  0.610299D+00  0.130796D+01
      4  -0.248736D-01  0.180680D+02 -0.522887D+02  0.639201D+01 -0.198346D+01
      5   0.330733D+01 -0.366440D+01  0.889568D+01 -0.710818D+01  0.961939D+01
      6   0.199567D+00  0.307022D+01 -0.115289D+02  0.654534D+01 -0.201600D+01
               296           297           298           299           300 
      1   0.208568D+00  0.222892D+01 -0.539342D+01 -0.201323D+02 -0.402201D+01
      2   0.147957D+01 -0.592063D-01  0.180283D+02  0.429698D+02  0.624947D+01
      3  -0.168814D+01 -0.216971D+01 -0.126349D+02 -0.228375D+02 -0.222746D+01
      4  -0.660134D+00 -0.587298D+01  0.223805D+02  0.321791D+02  0.768839D+01
      5  -0.630202D+01  0.246955D+01  0.487732D+01  0.535710D+01  0.460488D+01
      6   0.548528D+01 -0.206617D+01  0.964730D+01  0.143515D+02  0.589284D+01
               301           302           303           304           305 
      1  -0.113992D+02 -0.432738D+02 -0.790702D+01 -0.142017D+01 -0.513353D+01
      2   0.243262D+02  0.818336D+02  0.129506D+02  0.199987D+01  0.522472D+01
      3  -0.129271D+02 -0.385599D+02 -0.504359D+01 -0.579701D+00 -0.911897D-01
      4   0.199888D+02  0.371680D+02  0.632020D+01  0.411918D+01  0.470000D+01
      5   0.321989D+01  0.558193D+01  0.226607D+01  0.418568D+01  0.365449D+01
      6   0.781900D+01  0.245388D+02  0.117097D+02  0.420885D+01  0.163544D+02
               306           307           308           309           310 
      1  -0.703781D+01 -0.134861D+01  0.678514D+01  0.452368D+01  0.282794D+01
      2   0.975076D+01  0.344775D+01 -0.776903D+01 -0.289079D+01 -0.370336D+01
      3  -0.271295D+01 -0.209915D+01  0.983889D+00 -0.163289D+01  0.875426D+00
      4   0.551833D+01 -0.153674D+02  0.112116D+02  0.937672D+01  0.688571D+01
      5   0.274821D+01 -0.777103D+01  0.469699D+01  0.577458D+01  0.182710D+01
      6   0.670144D+01  0.137334D+02 -0.101305D+02 -0.149992D+02 -0.502624D+01
               311           312           313           314           315 
      1  -0.834265D+01 -0.623413D+01  0.454322D+01 -0.108325D+02 -0.103784D+02
      2   0.121557D+02  0.861557D+01 -0.181666D+01  0.110143D+02  0.317110D+01
      3  -0.381309D+01 -0.238144D+01 -0.272657D+01 -0.181732D+00  0.720735D+01
      4  -0.506504D+01 -0.314296D+01  0.923646D+01 -0.510101D+01 -0.885343D+01
      5  -0.251241D+01 -0.197210D+01  0.602824D+01 -0.329958D+01 -0.593227D+01
      6   0.122832D+02  0.945382D+01 -0.126943D+02  0.159109D+02  0.214662D+02
               316           317           318           319           320 
      1   0.726485D+00 -0.659858D+01  0.442555D+01 -0.368028D+01 -0.718126D+01
      2   0.141581D+01  0.711017D+01 -0.228597D+01  0.408571D+01  0.104968D+02
      3  -0.214229D+01 -0.511592D+00 -0.213958D+01 -0.405428D+00 -0.331557D+01
      4   0.160748D+02  0.107586D+02 -0.998524D+01  0.576867D+01  0.476488D+01
      5  -0.875617D+01 -0.491949D+01  0.666795D+01 -0.143494D+01 -0.258597D+01
      6  -0.139123D+02 -0.100979D+02  0.155951D+02 -0.472337D+01 -0.114278D+02
               321           322           323           324           325 
      1   0.584572D+01  0.477049D+01  0.100676D+02 -0.101515D+02 -0.563998D+01
      2  -0.816074D+01 -0.180467D+01 -0.989253D+01  0.241993D+01  0.169979D+02
      3   0.231503D+01 -0.296582D+01 -0.175052D+00  0.773158D+01 -0.113580D+02
      4  -0.300128D+01 -0.903573D+01 -0.526180D+01  0.916308D+01 -0.208127D+02
      5   0.189214D+01  0.633545D+01  0.366996D+01 -0.679376D+01  0.488781D+01
      6   0.883017D+01  0.126301D+02  0.154370D+02 -0.214352D+02 -0.964815D+01
               326           327           328           329           330 
      1   0.209854D+02 -0.442722D+01  0.113772D+02 -0.446997D+02  0.866212D+01
      2  -0.425739D+02  0.667931D+01 -0.229437D+02  0.821464D+02 -0.138488D+02
      3   0.215886D+02 -0.225209D+01  0.115666D+02 -0.374467D+02  0.518671D+01
      4   0.306142D+02 -0.778722D+01  0.182945D+02 -0.349166D+02  0.643889D+01
      5  -0.550349D+01  0.468236D+01 -0.328186D+01  0.561555D+01 -0.220351D+01
      6   0.150170D+02 -0.621024D+01  0.796128D+01 -0.261123D+02  0.123055D+02
               331           332           333           334           335 
      1  -0.173270D+01  0.624847D+01 -0.761927D+01 -0.592795D+01 -0.519977D+01
      2   0.237863D+01 -0.651208D+01  0.101093D+02 -0.780694D+01 -0.566993D+00
      3  -0.645936D+00  0.263609D+00 -0.249000D+01  0.137349D+02  0.576677D+01
      4  -0.405832D+01  0.515652D+01 -0.534445D+01  0.413552D+01  0.183542D+01
      5   0.407253D+01 -0.358214D+01  0.273681D+01 -0.129038D+02 -0.298531D+01
      6  -0.417453D+01  0.169288D+02 -0.744723D+01 -0.757548D+01 -0.660965D+01
               336           337           338           339           340 
      1   0.161498D+02 -0.232062D+01 -0.268479D+01  0.166111D+00  0.912531D+01
      2   0.992864D+01  0.951574D+00 -0.198418D+00 -0.253917D+01  0.520332D+01
      3  -0.260784D+02  0.136904D+01  0.288321D+01  0.237306D+01 -0.143286D+02
      4  -0.302095D+01  0.191043D+01  0.189973D+01 -0.149924D+01 -0.182902D+01
      5   0.116393D+02 -0.217599D+01 -0.294268D+01  0.282638D+01  0.892318D+01
      6   0.115018D+02 -0.420239D+01 -0.366781D+01  0.480818D+01  0.489817D+01
               341           342           343           344           345 
      1   0.173179D+01 -0.149140D+02 -0.121985D+01  0.201470D+01  0.464111D+01
      2   0.505418D+00 -0.109542D+02 -0.259186D+00  0.651009D+00  0.245628D+01
      3  -0.223721D+01  0.258681D+02  0.147904D+01 -0.266571D+01 -0.709739D+01
      4  -0.169137D+01  0.265358D+01  0.267621D+01  0.198503D+01  0.235246D+01
      5   0.247233D+01 -0.117814D+02  0.188568D+01  0.331531D+01  0.275529D+01
      6   0.424940D+01 -0.652931D+01  0.380744D+01  0.885636D+00 -0.431567D+00
               346           347           348           349           350 
      1  -0.340906D+00 -0.155209D+02 -0.184849D+02  0.419720D+00 -0.121435D+02
      2  -0.317618D+01  0.110537D+01 -0.520041D+01 -0.771692D+00 -0.191661D+01
      3   0.351709D+01  0.144155D+02  0.236853D+02  0.351973D+00  0.140601D+02
      4   0.418539D+01  0.928675D+01  0.903902D+01  0.293041D+01  0.387073D+01
      5   0.741570D+01  0.103866D+02  0.149045D+02  0.348924D+01  0.680335D+01
      6   0.461487D+01  0.216943D+02  0.234861D+02  0.214202D+01  0.157997D+02
               351           352           353           354           355 
      1  -0.207668D+02  0.260594D+02 -0.121316D+02 -0.295568D+00 -0.146851D+02
      2  -0.632045D+01 -0.251602D+00 -0.761197D+01  0.158494D+01 -0.134031D+02
      3   0.270873D+02 -0.258078D+02  0.197436D+02 -0.128937D+01  0.280883D+02
      4   0.560331D+01 -0.349440D+02  0.334168D+02 -0.337166D+01  0.473393D+02
      5   0.979213D+01  0.847413D+00 -0.415377D+01  0.428641D+01 -0.188730D-01
      6   0.204756D+02 -0.189955D+01  0.724208D+00 -0.105222D+01 -0.237573D+00
               356           357           358           359           360 
      1   0.296451D+01  0.188840D+01  0.757694D+01 -0.298167D+01 -0.265273D+01
      2   0.330479D+02 -0.340453D+01  0.170712D+01 -0.824454D+01  0.418062D+01
      3  -0.360124D+02  0.151613D+01 -0.928406D+01  0.112262D+02 -0.152789D+01
      4  -0.631774D+02  0.256933D+01 -0.158478D+02  0.180456D+02 -0.908707D+01
      5   0.480647D+01 -0.700058D+01  0.566016D+01 -0.932724D+01  0.542148D+01
      6  -0.120025D+01  0.614502D+01 -0.334062D+01  0.853073D+01 -0.306902D+01
               361           362           363           364           365 
      1  -0.134814D+02 -0.710067D+01 -0.862399D+01 -0.537804D+01 -0.786838D+01
      2   0.811181D+01  0.359535D+01  0.450672D+01  0.555652D+00  0.977684D+01
      3   0.536955D+01  0.350532D+01  0.411726D+01  0.482239D+01 -0.190846D+01
      4   0.177253D+01  0.240923D+01 -0.962850D+00  0.790283D+01 -0.111438D+02
      5  -0.105464D+01 -0.262854D+01 -0.175216D+01 -0.260559D-01 -0.528943D+01
      6   0.341755D+01  0.407227D+01  0.518122D+01  0.146367D+01  0.839380D+01
               366           367           368           369           370 
      1  -0.809526D+01 -0.137136D+02 -0.137046D+02 -0.167277D+02  0.703510D+02
      2   0.595134D+01  0.834430D+01  0.690041D+01  0.260811D+01 -0.408013D+02
      3   0.214392D+01  0.536927D+01  0.680419D+01  0.141195D+02 -0.295497D+02
      4  -0.525682D+01  0.910922D+00 -0.555280D+01 -0.804682D+01 -0.357737D+02
      5  -0.472877D+01  0.407181D+01 -0.943714D+01 -0.168025D+02 -0.505883D+02
      6   0.860034D+01  0.141134D+01  0.126982D+02  0.179333D+02  0.116727D+02
               371           372           373           374           375 
      1  -0.202833D+02 -0.303726D+02 -0.261787D+02  0.126138D+02  0.134629D+02
      2   0.110524D+02  0.210582D+02  0.138306D+02 -0.510219D+01 -0.848033D+01
      3   0.923088D+01  0.931438D+01  0.123481D+02 -0.751160D+01 -0.498253D+01
      4   0.197969D+02  0.205248D+02  0.283774D+02 -0.240738D+02 -0.197399D+02
      5   0.194563D+02  0.355427D+02  0.260323D+02 -0.193041D+02 -0.187351D+02
      6  -0.629839D+01 -0.784628D+01 -0.101930D+02  0.895387D+01  0.992292D+01
               376           377           378           379           380 
      1  -0.265331D+02  0.984823D+01  0.213039D+02 -0.163165D+02  0.562101D+01
      2   0.215388D+02 -0.733767D+01 -0.204878D+02  0.659372D+01 -0.252655D+00
      3   0.499433D+01 -0.251055D+01 -0.816061D+00  0.972282D+01 -0.536836D+01
      4   0.204115D+02 -0.134428D+02 -0.180943D+02  0.511378D+01 -0.368529D+01
      5   0.424418D+02 -0.164590D+02 -0.401601D+02 -0.475373D+01  0.282266D+01
      6  -0.103091D+02  0.791927D+01  0.102157D+02 -0.277646D+01  0.118705D+01
               381           382           383           384           385 
      1  -0.878225D+01  0.128957D+02 -0.914676D+01  0.106818D+02 -0.111139D+02
      2   0.181400D+01 -0.608753D+01  0.239746D+01 -0.377487D+00  0.505720D+01
      3   0.696825D+01 -0.680819D+01  0.674930D+01 -0.103044D+02  0.605671D+01
      4   0.382964D+01 -0.154066D+01  0.150447D+02 -0.105569D+02  0.350993D+01
      5  -0.324583D+00  0.254674D+01 -0.920065D+01  0.145750D+02  0.593628D+01
      6  -0.107617D+01  0.119340D+01 -0.748465D+01  0.604663D+01 -0.166716D+01
               386           387           388           389           390 
      1   0.872788D+01 -0.944794D+01  0.119649D+03  0.385077D+02 -0.132326D+02
      2   0.272256D+00 -0.699098D+01 -0.568253D+02 -0.165866D+02  0.659969D+01
      3  -0.900014D+01  0.164389D+02 -0.628240D+02 -0.219211D+02  0.663289D+01
      4  -0.903944D+01  0.891944D+01  0.469635D+02  0.266142D+02 -0.789001D+01
      5   0.889119D+01 -0.242511D+02 -0.150857D+02 -0.716879D+01  0.126537D+02
      6   0.609779D+01 -0.530378D+01 -0.462618D+01 -0.163421D+01  0.168329D+01
               391           392           393           394           395 
      1   0.583575D+02  0.320848D+02 -0.973696D+01 -0.295794D+02 -0.129984D+02
      2  -0.243705D+02 -0.111708D+02  0.433948D+01  0.145066D+02  0.621887D+01
      3  -0.339870D+02 -0.209140D+02  0.539748D+01  0.150728D+02  0.677952D+01
      4   0.438172D+02  0.320778D+02 -0.437109D+01 -0.161537D+02 -0.708816D+01
      5  -0.114782D+02 -0.400531D+01  0.628942D+01  0.226041D+02  0.672597D+01
      6  -0.288873D+01 -0.262828D+01  0.301129D+01  0.406518D+01  0.352328D+01
               396           397           398           399           400 
      1   0.162525D+02  0.478009D+02 -0.125908D+02  0.181632D+02 -0.300968D+02
      2  -0.885110D+01 -0.250757D+02  0.624862D+01 -0.106540D+02  0.146731D+02
      3  -0.740140D+01 -0.227252D+02  0.634215D+01 -0.750924D+01  0.154237D+02
      4   0.693545D+01 -0.166451D+02  0.141067D+02 -0.103187D+02  0.299452D+02
      5  -0.105408D+02  0.230584D+02 -0.106160D+02  0.146932D+02 -0.225786D+02
      6  -0.235566D+01 -0.478118D+01  0.237456D+01 -0.266371D+01  0.571023D+01
               401           402           403           404           405 
      1   0.198776D+02 -0.163879D+02  0.332565D+02 -0.137623D+02  0.175860D+02
      2  -0.819671D+01  0.861007D+01 -0.205240D+02  0.873551D+01 -0.140661D+02
      3  -0.116809D+02  0.777786D+01 -0.127325D+02  0.502679D+01 -0.351994D+01
      4  -0.291377D+02  0.163542D+02 -0.187052D+02  0.148763D+02 -0.168845D+02
      5   0.166546D+02 -0.211338D+02  0.290822D+02 -0.168531D+02  0.333126D+02
      6  -0.647781D+01  0.615236D+01 -0.549111D+01  0.565569D+01 -0.619526D+01
               406           407           408           409           410 
      1  -0.228598D+01  0.498554D+01 -0.449858D+01  0.151777D+02 -0.688323D+01
      2   0.342519D+01 -0.307239D+01  0.308996D+01 -0.320239D+01  0.217102D+02
      3  -0.113920D+01 -0.191316D+01  0.140862D+01 -0.119753D+02 -0.148270D+02
      4   0.446707D+01  0.353184D+01 -0.556046D+00  0.173524D+02  0.364340D+02
      5  -0.503454D+01  0.683854D+00  0.214780D+01  0.471761D+01 -0.368485D+01
      6  -0.292113D+01 -0.111266D+01  0.975568D+00  0.216304D+01  0.142140D+00
               411           412           413           414           415 
      1   0.525650D+01 -0.197821D+02  0.425168D+01 -0.112558D+01  0.239801D+02
      2  -0.628334D+01  0.795708D+01 -0.903065D+01  0.327701D+01 -0.169015D+02
      3   0.102685D+01  0.118250D+02  0.477897D+01 -0.215142D+01 -0.707861D+01
      4  -0.418790D+01 -0.206085D+01 -0.122546D+02  0.912315D+01  0.169488D+02
      5   0.767784D+01  0.424289D+01  0.954007D+01 -0.400554D+01  0.280474D+02
      6   0.500636D+01  0.175997D+01  0.422201D+01 -0.138874D+01  0.919881D+01
               416           417           418           419           420 
      1   0.667287D+01  0.133371D+02  0.660136D+01  0.299402D+01  0.297783D+01
      2  -0.382259D+01 -0.974286D+01 -0.203798D+01  0.250692D+00 -0.181421D+01
      3  -0.285028D+01 -0.359420D+01 -0.456338D+01 -0.324471D+01 -0.116362D+01
      4   0.129616D+02  0.146781D+02  0.197597D+02  0.220948D+02  0.172997D+02
      5   0.146058D+02  0.244051D+02  0.163465D+02  0.184052D+02  0.174663D+02
      6   0.581919D+01  0.741075D+01  0.956861D+01  0.112305D+02  0.127900D+02
               421           422           423 
      1   0.216797D+02  0.512118D+01  0.494411D+01
      2  -0.182521D+02 -0.655083D+01 -0.165715D+02
      3  -0.342767D+01  0.142965D+01  0.116274D+02
      4   0.248208D+02  0.205817D+02  0.281400D+02
      5   0.406337D+02  0.290947D+02  0.549309D+02
      6   0.158488D+02  0.162502D+02  0.220505D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.281191D+03      0.416682D+02      0.463621D+02
   aniso      0.772578D+02      0.114484D+02      0.127381D+02
   xx         0.331498D+03      0.491229D+02      0.546566D+02
   yx        -0.401097D+00     -0.594365D-01     -0.661320D-01
   yy         0.265205D+03      0.392994D+02      0.437265D+02
   zx        -0.267103D+01     -0.395806D+00     -0.440393D+00
   zy         0.375224D+00      0.556025D-01      0.618661D-01
   zz         0.246869D+03      0.365822D+02      0.407032D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.281191D+03      0.416682D+02      0.463621D+02
   aniso      0.772578D+02      0.114484D+02      0.127381D+02
   xx         0.331435D+03      0.491135D+02      0.546462D+02
   yx        -0.150072D+01     -0.222383D+00     -0.247435D+00
   yy         0.246863D+03      0.365813D+02      0.407022D+02
   zx         0.284339D+01      0.421347D+00      0.468812D+00
   zy        -0.108916D+01     -0.161397D+00     -0.179578D+00
   zz         0.265275D+03      0.393097D+02      0.437379D+02

 ----------------------------------------------------------------------
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 \@


 SOME PHYSICISTS WOULD PREFER TO COME BACK TO THE IDEA OF AN OBJECTIVE
 REAL WORLD WHOSE SMALLEST PARTS EXIST OBJECTIVELY IN THE SAME SENSE AS
 STONES OR TREES EXIST INDEPENDENTLY OF WHETHER WE OBSERVE THEM.
 THIS, HOWEVER, IS IMPOSSIBLE.  -- WERNER HEISENBERG
 Job cpu time:       2 days 11 hours  8 minutes 18.8 seconds.
 Elapsed time:       0 days  3 hours 42 minutes 20.8 seconds.
 File lengths (MBytes):  RWF=   1355 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 20:40:12 2021.
